SCHEMBL3752930

SCHEMBL3752930

Cc1cc(Cl)nc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
CHRM1 P11229 1/20 0.40
ALOX15 P16050 1/20 0.40
MAOA P21397 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HIF1A Q16665 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 3/20 0.36
TAAR1 Q96RJ0 1/20 0.36
POLB P06746 2/20 0.33
SIRT1 Q96EB6 1/20 0.32
HTT P42858 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
SCHEMBL10412021 0.79 SMN1; SMN2 (0.54) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL31396216 0.79 ALDH1A1 (0.39) CYP3A4ALDH1A1MAPK1SMN1; SMN2CYP2C19
SCHEMBL22289594 0.79 CYP3A4 (0.40) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL11985859 0.79 ALDH1A1 (0.39) CYP3A4ALDH1A1MAPK1SMN1; SMN2CYP2C19
SCHEMBL23797878 0.75 ALDH1A1 (0.36) CYP3A4ALDH1A1MAPK1SMN1; SMN2CYP2C19
SCHEMBL31178437 0.75 KMT2A (0.42) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL21287270 0.75 NOS3 (0.41) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL5746102 0.75 ALDH1A1 (0.40) CYP3A4ALDH1A1MAPK1SMN1; SMN2CYP2C19
SCHEMBL8545318 0.75 ALDH1A1 (0.36) CYP3A4ALDH1A1MAPK1SMN1; SMN2CYP2C19
SCHEMBL30421541 0.75 ALDH1A1 (0.40) CYP3A4ALDH1A1MAPK1SMN1; SMN2CYP2C19

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022009098-A1 MANUFACTURE OF COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2022-01-13 WO disclosed
US-20180289718-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2018-10-11 US disclosed
US-10016439-B2 Fused imidazole compounds ONO PHARMACEUTICAL CO., LTD. (JP) 2018-07-10 US disclosed
EP-3099672-A1 FUSED IMIDAZOLE COMPOUNDS ONO Pharmaceutical Co., Ltd. (JP) 2016-12-07 EP disclosed
US-20160331757-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2016-11-17 US disclosed
WO-2015115673-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-08-06 WO disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
EP-1848694-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F. Hoffmann-Roche AG (CH) 2007-10-31 EP disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 US 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 (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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 CYP3A4 8/4885CHRM1 778/4885ALOX15 1755/4885
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF NAPRT, PNPO, FABP3 CYP3A4 1854/4885CHRM1 145/4885ALOX15 226/4885
US-20180289718-A1 FUSED IMIDAZOLE COMPOUNDS GABRA5, CHRNA5, GABRP CYP3A4 195/4885CHRM1 92/4885ALOX15 1703/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 CYP3A4 8/4885CHRM1 778/4885ALOX15 1755/4885
US-20160331757-A1 FUSED IMIDAZOLE COMPOUNDS GABRA5, CHRNA5, GABRP CYP3A4 195/4885CHRM1 92/4885ALOX15 1703/4885
US-10016439-B2 Fused imidazole compounds GABRA5, CHRNA5, GABRP CYP3A4 195/4885CHRM1 92/4885ALOX15 1703/4885

“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.