SCHEMBL15423768

SCHEMBL15423768

CCOc1ccc(C)cc1C(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.48
MAPT P10636 4/20 0.45
RAB9A P51151 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ATM Q13315 1/20 0.45
MRGPRX1 Q96LB2 2/20 0.43
TSHR P16473 3/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
RORC P51449 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL3065130 0.84 CYP3A4 (0.62) KCNMA1MAPTL3MBTL1TSHRCYP3A4
SCHEMBL1641613 0.84 TSHR (0.57) KCNMA1MAPTL3MBTL1TSHRCYP3A4
Zinc Ion SCHEMBL9187537 0.83 KCNMA1 (0.48) KCNMA1MAPTRAB9AL3MBTL1POLB
SCHEMBL30102496 0.83 NPC1 (0.50) RAB9AL3MBTL1POLBTSHRCYP3A4
SCHEMBL9187547 0.83 TSHR (0.56) KCNMA1MAPTL3MBTL1MRGPRX1TSHR
SCHEMBL14279020 0.83 TSHR (0.52) KCNMA1MAPTRAB9AL3MBTL1ALDH1A1
SCHEMBL7860492 0.83 MAPK1 (0.51) KCNMA1MAPTRAB9AALDH1A1MRGPRX1
SCHEMBL3385153 0.83 TSHR (0.50) KCNMA1MAPTRAB9AALDH1A1MRGPRX1
SCHEMBL4729840 0.83 KDM4E (0.57) MAPTL3MBTL1ALDH1A1ATMTSHR
SCHEMBL11365109 0.82 ACHE (0.54) KCNMA1MAPTL3MBTL1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2951180-B1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME (US) 2018-05-02 EP disclosed
US-9540377-B2 2,6,7,8 substituted purines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-01-10 US disclosed
US-9221825-B2 Pyrazolopyrimidinone compound and imidazo triazone compound for treating erectile dysfunction ZHEJIANG DADE PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-12-29 US disclosed
US-20150353553-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
EP-2951180-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-12-09 EP disclosed
WO-2014120748-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 WO disclosed
US-20140018351-A1 Pyrazolopyrimidinone Compound and Imidazo Triazone Compound for Treating Erectile Dysfunction Zhejiang Date Pharmaceutical Group Co. Ltd (CN) 2014-01-16 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 (2 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-20140018351-A1 Pyrazolopyrimidinone Compound and Imidazo Triazone Compound for Treating Erectile Dysfunction PDE3A, PDE3B, PDE5A KCNMA1 2483/4885MAPT 3664/4885RAB9A 1573/4885
US-20150353553-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS DDX21, DPYD, NSUN2 KCNMA1 4713/4885MAPT 3430/4885RAB9A 2499/4885

“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.