SCHEMBL456570

SCHEMBL456570

OCc1cc(Cl)ccc1S

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.45
HIF1A Q16665 3/20 0.45
IDO1 P14902 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
HPGD P15428 2/20 0.45
ALOX15 P16050 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC22A1 O15245 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSPD1 P10809 1/20 0.45
HSPA5 P11021 1/20 0.45
ALOX12 P18054 1/20 0.45
CASP1 P29466 1/20 0.45
HTT P42858 1/20 0.45
BLM P54132 1/20 0.45
HSPE1 P61604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL19677719 0.82 IDO1 (0.45) CYP3A4HIF1AIDO1MAPTMEN1
SCHEMBL1154758 0.78 IDO1 (0.50) CYP3A4HIF1AIDO1MAPTMEN1
SCHEMBL29493203 0.78 IDO1 (0.50) CYP3A4HIF1AIDO1MAPTMEN1
SCHEMBL13809373 0.77 IDO1 (0.40) CYP3A4HIF1AIDO1MAPTMEN1
SCHEMBL951751 0.77 NOS3 (0.47) CYP3A4HIF1AIDO1MAPTMEN1
SCHEMBL92968 0.76 CYP3A4 (0.48) CYP3A4HIF1AIDO1MAPTMEN1
SCHEMBL28719219 0.76 APOBEC3G (0.30)
SCHEMBL6299246 0.76 IDO1 (0.39) CYP3A4HIF1AIDO1MAPTMEN1
SCHEMBL18226900 0.74 EGFR (0.39) MAPTHSD17B10TSHR
SCHEMBL29578339 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177282-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-06 EP disclosed
US-10662171-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2020-05-26 US disclosed
US-20170217920-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2017-08-03 US disclosed
EP-3177282-A1 ANTIDIABETIC BICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2017-06-14 EP disclosed
WO-2016022448-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2016-02-11 WO disclosed
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed
US-20130338133-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-19 US disclosed
CN-103370318-A Substituted imidazopyridazines BAYER IP GMBH 2013-10-23 CN disclosed
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed
US-5587392-A THERAPY FOR ESTROGEN DEPENDENT DISEASES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed
EP-0684235-A1 Novel azolyl methyl phenyl derivatives having aromatase inhibitory activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-11-29 EP disclosed
WO-1993012080-A1 SUBSTITUTED DIPHENYLSULFIDES AS SEROTONIN UPTAKE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1993-06-24 WO disclosed
EP-0112620-B1 5-(SUBSTITUTED PHENYL) HYDANTOINS PFIZER INC. (US) 1986-12-30 EP disclosed
EP-0112620-A1 5-(Substituted phenyl) hydantoins PFIZER INC. (US) 1984-07-04 EP disclosed
US-4452806-A Treating diabetic complications with 5-(substituted phenyl)hydantoins PFIZER INC. (US) 1984-06-05 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 (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-10662171-B2 Antidiabetic bicyclic compounds GPR119, GPR65, GLP1R CYP3A4 1328/4885HIF1A 3275/4885IDO1 3808/4885
US-20130338133-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BUB1, TTBK1, BUB1B CYP3A4 2460/4885HIF1A 1747/4885IDO1 2001/4885
US-20170217920-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, GPR65, GLP1R CYP3A4 1328/4885HIF1A 3275/4885IDO1 3808/4885

“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.