SCHEMBL2133755

SCHEMBL2133755

Clc1ccc(-c2cncc(Cl)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.51
CYP11B1 P15538 1/20 0.51
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
SCN10A Q9Y5Y9 5/20 0.44
SCN2A Q99250 4/20 0.44
NOTUM Q6P988 2/20 0.44
METAP2 P50579 1/20 0.44
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CDK2 P24941 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL2932941 0.83 CDK5 (0.51) CYP11B2CYP11B1MAPT
SCHEMBL1464223 0.83 CYP11B2 (0.57) CYP11B2CYP11B1RAB9ASMN1; SMN2KDM4E
SCHEMBL21044502 0.83 CYP11B2 (0.49) CYP11B2CYP11B1RAB9ANPC1SMN1; SMN2
SCHEMBL29533608 0.83 CYP11B2 (0.57) CYP11B2CYP11B1RAB9ASMN1; SMN2KDM4E
SCHEMBL4901225 0.83 CYP11B2 (0.49) CYP11B2CYP11B1RAB9ANPC1SMN1; SMN2
SCHEMBL23110824 0.83 CYP11B2 (0.49) CYP11B2CYP11B1RAB9ANPC1SMN1; SMN2
SCHEMBL21328972 0.83 CYP11B2 (0.47) CYP11B2CYP11B1RAB9ANPC1SMN1; SMN2
SCHEMBL319173 0.83 CDK2 (0.48) CYP11B2CYP11B1RAB9ANPC1SMN1; SMN2
SCHEMBL11679588 0.79 RAB9A (0.46) RAB9ANPC1SMN1; SMN2SCN10ASCN2A
SCHEMBL2614937 0.79 SCN10A (0.49) CYP11B2CYP11B1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078337-A1 CDK8/19 DUAL INHIBITORS AND METHODS OF USE INSILICO MEDICINE IP LIMITED (CN) 2023-05-11 WO disclosed
WO-2023078337-A1 CDK8/19 DUAL INHIBITORS AND METHODS OF USE INSILICO MEDICINE IP LIMITED (CN) 2023-05-11 WO disclosed
EP-2379535-B1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2016-06-15 EP disclosed
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
WO-2014106606-A1 NOVE PHENYL/PYRIDINE SERIES SUBSTITUED BY HYDROXYETHYLAMINO FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2014-07-10 WO disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 US disclosed
CN-102325767-A 7-phenoxy chroman carboxylic acid derivative ARRAY BIOPHARMA INC 2012-01-18 CN disclosed
EP-2379535-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES Array Biopharma Inc. (US) 2011-10-26 EP disclosed
WO-2010075200-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-01 WO disclosed
CN-100349856-C Propionic acid derivatives and their use as hPPAR activators SMITHKLINE BEECHAM CORP (US) 2007-11-21 CN disclosed
US-7199239-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-04-03 US disclosed
US-7199239-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-04-03 US disclosed
US-7199239-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-04-03 US disclosed
US-20060074111-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-04-06 US disclosed
CN-1675168-A Propionic acid derivatives and their use as hPPARs activators SMITHKLINE BEECHAM CORP (US) 2005-09-28 CN disclosed
EP-1513795-A2 PROPIONIC ACID DERIVATIVES AND THEIR USE AS HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 EP disclosed
WO-2004000762-A2 PROPIONIC ACID DERIVATIVES AND THEIR USE AS HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-31 WO disclosed
US-4046763-A INTERMEDIATE FOR ULTRAVIOLET LIGHT ABSORBERS MCNEIL LABORATORIES, INCORPORATED (US) 1977-09-06 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-20060074111-A1 Chemical compounds HDAC3, HAT1, H1-3 CYP11B2 1702/4885CYP11B1 947/4885RAB9A 2573/4885
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 CYP11B2 172/4885CYP11B1 189/4885RAB9A 1293/4885

“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.