SCHEMBL7399490

SCHEMBL7399490

CN(C)c1ccncc1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.37
CHRM5 P08912 1/20 0.37
CHKA P35790 1/20 0.37
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
HASPIN Q8TF76 1/20 0.35
CYP2A6 P11509 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
CHUK O15111 1/20 0.33

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
SCHEMBL29954471 1.00 ERN1 (0.37) ERN1CHRM5CHKACCNT1CDK9
SCHEMBL20614743 0.84 CHRM5 (0.37) ERN1CHRM5CHKACCNT1CDK9
SCHEMBL25024193 0.80 CHRM5 (0.37) CHRM5CHKAMAPTSMN1; SMN2MEN1
SCHEMBL6772213 0.80 CHRM5 (0.37) CHRM5CHKAMAPTSMN1; SMN2MEN1
SCHEMBL9000565 0.77 MAPT (0.35) CHRM5CHKAMAPTSMN1; SMN2MEN1
SCHEMBL16701005 0.73 CHRM5 (0.46) CHRM5CHKACDK9CYP2A6MAPT
SCHEMBL2600757 0.73 KMT2A (0.46) ERN1CCNT1CDK9HASPINCYP2A6
SCHEMBL29955436 0.73 KMT2A (0.46) ERN1CCNT1CDK9HASPINCYP2A6
SCHEMBL4065895 0.73 KDM4C (0.34) ERN1MAPTKDM4EALDH1A1GAA
SCHEMBL9938195 0.73 ERN1 (0.36) ERN1CCNT1CDK9HASPINMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115490679-A D-pi-A structure tri-substituted olefin with high affinity with alpha-synuclein, and preparation method and application thereof 北京核素医药科技有限公司 2022-12-20 CN disclosed
CN-108341799-B Novel indole derivatives for the treatment of cancer, viral infections and lung diseases 生物控制术公司 2022-01-25 CN disclosed
US-10851054-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases BIOKINESIS (FR) 2020-12-01 US disclosed
US-10851054-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases BIOKINESIS (FR) 2020-12-01 US disclosed
US-20190169124-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES DIACCURATE (FR) 2019-06-06 US disclosed
US-20190169124-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES DIACCURATE (FR) 2019-06-06 US disclosed
US-10189782-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases BIOKINESIS (FR) 2019-01-29 US disclosed
US-10189782-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases BIOKINESIS (FR) 2019-01-29 US disclosed
CN-108341799-A For treating cancer, the novel indole derivative of virus infection and tuberculosis 生物控制术公司 2018-07-31 CN disclosed
CN-104854088-B Novel indole derivatives for the treatment of cancer, viral infections and lung diseases 生物控制术公司 2018-02-16 CN disclosed
EP-2928864-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES Biokinesis (FR) 2015-10-14 EP disclosed
CN-104854088-A Novel indole derivatives for the treatment of cancer, viral infections and lung diseases BIOKINESIS 2015-08-19 CN disclosed
WO-2014086964-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES BIOKINESIS (FR) 2014-06-12 WO disclosed
WO-2014086964-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES BIOKINESIS (FR) 2014-06-12 WO disclosed
CN-101073781-A 4-dimethy-pyridine organic molecular-catalyst containing dinaphthalene chiral functional based and its production UNIV TIANJIN (CN) 2007-11-21 CN disclosed
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 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 (3 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-20190169124-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES IDO2, IDO1, ING2 ERN1 3573/4885CHRM5 1885/4885CHKA 1182/4885
US-10189782-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases IDO2, IDO1, ING2 ERN1 3421/4885CHRM5 2230/4885CHKA 1104/4885
US-10851054-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases IDO2, IDO1, ING2 ERN1 3421/4885CHRM5 2230/4885CHKA 1104/4885

“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.