SCHEMBL314742

SCHEMBL314742

Cc1[nH]c2cc[c]cc2c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.52
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 9/20 0.40
HCRTR1 O43613 1/20 0.36
GFER P55789 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL4847195 0.83 AHR (0.52) AHRKDM4EALDH1A1HPGDTHRB
SCHEMBL852559 0.77 ALDH1A1 (0.39) AHRKDM4EALDH1A1HPGDMAPT
SCHEMBL3482936 0.76 ALDH1A1 (0.48) KDM4EALDH1A1HPGDTHRBMAPT
SCHEMBL3483291 0.76 NR4A2 (0.41) KDM4EALDH1A1HPGDTHRBMAPT
SCHEMBL3482830 0.76 ALDH1A1 (0.44) AHRKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL695360 0.74 F2 (0.48) AHRSMN1; SMN2
SCHEMBL5800182 0.73 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL5670227 0.73 MAP2 (0.40) KDM4EALDH1A1HPGDTHRBMAPT
SCHEMBL2734801 0.73 NR4A2 (0.40) KDM4EALDH1A1HPGDTHRBMAPT
SCHEMBL694353 0.72 MAPK14 (0.39) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2018-09-18 US claimed
EP-2892892-B1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2017-05-31 EP claimed
US-20160002219-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2016-01-07 US claimed
EP-2892892-A1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SNTHASE (FASN) INHIBITORS FOR!THE TREATMENT OF CANCER Janssen Pharmaceutica N.V. (BE) 2015-07-15 EP claimed
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2015-06-04 US claimed
US-20150099730-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA, NV (BE) 2015-04-09 US claimed
WO-2014039769-A1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SNTHASE (FASN) INHIBITORS FOR|THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2014-03-13 WO claimed
WO-2011146801-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-11-24 WO claimed
US-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 US claimed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US claimed
US-20030191307-A1 2,4-Diaminopyrimidine compounds useful as immunosuppressants BLUMENKOPF TODD A (US) 2003-10-09 US claimed
EP-1313726-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-28 EP claimed
EP-1311500-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-21 EP claimed
EP-1309587-A1 CINNOLINE COMPOUNDS AstraZeneca AB (SE) 2003-05-14 EP claimed
EP-1242403-A1 2,4-DIAMINOPYRIMIDINE COMPOUNDS USFUL AS IMMUNOSUPPRESSANTS Pfizer Products Inc. (US) 2002-09-25 EP claimed
WO-2002016348-A1 ANTIANGIOGENIC BICYCLIC DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO claimed
WO-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 WO claimed
WO-2002012226-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 WO claimed
WO-2002012227-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 WO claimed
WO-2001040215-A1 2,4-DIAMINOPYRIMIDINE COMPOUNDS USFUL AS IMMUNOSUPPRESSANTS PFIZER PRODUCTS INC. (US) 2001-06-07 WO claimed

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

For each of this compound's patents that has machine-readable text (6 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-20030191307-A1 2,4-Diaminopyrimidine compounds useful as immunosuppressants CCR1, AOC1, NOD1 AHR 389/4885KDM4E 2949/4885ALDH1A1 495/4885
US-20150099730-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, PLIN1, FABP1 AHR 1497/4885KDM4E 4268/4885ALDH1A1 197/4885
US-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer FASN, PLIN1, FABP1 AHR 1497/4885KDM4E 4268/4885ALDH1A1 197/4885
US-20160002219-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, PLIN1, FABP1 AHR 1497/4885KDM4E 4268/4885ALDH1A1 197/4885
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P AHR 2181/4885KDM4E 4422/4885ALDH1A1 2514/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG AHR 463/4885KDM4E 3666/4885ALDH1A1 1381/4885

“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.