SCHEMBL1019336

SCHEMBL1019336

COc1ccc(C2(C#N)CCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
KDM4E B2RXH2 1/20 0.66
LMNA P02545 1/20 0.66
MAPT P10636 1/20 0.66
GAA P10253 1/20 0.53
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
POLB P06746 3/20 0.49
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
OPRM1 P35372 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21874245 0.98 ALDH1A1 (0.64) ALDH1A1KDM4ELMNAMAPTGAA
SCHEMBL1020841 0.98 ALDH1A1 (0.64) ALDH1A1KDM4ELMNAMAPTGAA
SCHEMBL3444680 0.96 ALDH1A1 (0.62) ALDH1A1KDM4ELMNAMAPTGAA
SCHEMBL1018321 0.92 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAMAPTGAA
SCHEMBL1626522 0.84 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAMAPTGAA
SCHEMBL21874058 0.84 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAMAPTGAA
SCHEMBL1103995 0.84 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAMAPTGAA
SCHEMBL2274605 0.83 LMNA (0.51) ALDH1A1KDM4ELMNAMAPTNPC1
SCHEMBL5167200 0.83 KMT2A (0.69) ALDH1A1KDM4ELMNAMAPTKMT2A
Hydrochloric Acid SCHEMBL3249908 0.83 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAMAPTGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200054630-A1 BENZAMIDES-CONTAINING COMPOUNDS AND THEIR USE IN THE TREATMENT OF DEPRESSION MINDIMMUNE THERAPEUTICS, INC. 2020-02-20 US disclosed
US-10238654-B2 Benzamides-containing compounds and their use in the treatment of epilepsy MINDIMMUNE THERAPEUTICS, INC. (US) 2019-03-26 US disclosed
US-10238654-B2 Benzamides-containing compounds and their use in the treatment of epilepsy MINDIMMUNE THERAPEUTICS, INC. (US) 2019-03-26 US disclosed
US-10100019-B2 N2-(2-methoxyphenyl)pyrimidine derivative, method for preparing same, and pharmaceutical composition for cancer prevention or treatment containing same as active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-10-16 US disclosed
CN-104884445-B Benzamide H.隆德贝克有限公司 2018-06-19 CN disclosed
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-26 US disclosed
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-26 US disclosed
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-26 US disclosed
EP-2906546-B1 BENZAMIDES H LUNDBECK AS (DK) 2018-01-10 EP disclosed
US-20170202836-A1 Benzamides-Containing Compounds and Their Use in the Treatment of Epilepsy H. LUNDBECK A/S (DK) 2017-07-20 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
US-7465719-B2 Carbamic acid compounds comprising an ester or ketone linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2008-12-16 US disclosed
US-7465719-B2 Carbamic acid compounds comprising an ester or ketone linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2008-12-16 US disclosed
US-7465719-B2 Carbamic acid compounds comprising an ester or ketone linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2008-12-16 US disclosed
EP-1981504-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV Remynd (BE) 2008-10-22 EP disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
WO-2007090617-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2007-08-16 WO disclosed
US-20060058282-A1 Carbamic acid compounds comprising an ester or ketone linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2006-03-16 US disclosed
EP-1583736-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS TopoTarget UK Limited (GB) 2005-10-12 EP disclosed
WO-2004065354-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2004-08-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200054630-A1 BENZAMIDES-CONTAINING COMPOUNDS AND THEIR USE IN THE TREATMENT OF DEPRESSION P2RX5, P2RX7, P2RX2 ALDH1A1 637/4885KDM4E 1502/4885LMNA 1650/4885
US-20060058282-A1 Carbamic acid compounds comprising an ester or ketone linkage as hdac inhibitors HDAC1, HDAC7, HDAC11 ALDH1A1 1211/4885KDM4E 26/4885LMNA 543/4885
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT ALK, NPM1, EML4 ALDH1A1 1803/4885KDM4E 756/4885LMNA 744/4885
US-10238654-B2 Benzamides-containing compounds and their use in the treatment of epilepsy P2RX5, P2RX7, P2RX6 ALDH1A1 767/4885KDM4E 1075/4885LMNA 1674/4885
US-10100019-B2 N2-(2-methoxyphenyl)pyrimidine derivative, method for preparing same, and pharmaceutical composition for cancer prevention or treatment containing same as active ingredient ALK, NPM1, EML4 ALDH1A1 1803/4885KDM4E 756/4885LMNA 744/4885
US-20170202836-A1 Benzamides-Containing Compounds and Their Use in the Treatment of Epilepsy P2RX5, P2RX7, P2RX6 ALDH1A1 767/4885KDM4E 1075/4885LMNA 1674/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885KDM4E 4164/4885LMNA 1113/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.