SCHEMBL2764669

SCHEMBL2764669

[CH2]Cc1ccc(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
P2RX7 Q99572 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 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
SCHEMBL7538168 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2RAB9ACYP1A2CYP2C19
SCHEMBL149727 0.82 SLC6A4 (0.39) ALDH1A1CYP1A2CYP2C19P2RX7KDM4E
SCHEMBL531667 0.79 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2RAB9ACYP1A2CYP2C19
SCHEMBL8290760 0.79 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2RAB9ACYP1A2CYP2C19
SCHEMBL697564 0.77 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2RAB9ACYP1A2CYP2C19
SCHEMBL2351920 0.77 IDO1 (0.61) ALDH1A1SMN1; SMN2RAB9ACYP1A2CYP2C19
SCHEMBL211919 0.77 PNMT (0.48) ALDH1A1SMN1; SMN2RAB9ACYP1A2CYP2C19
SCHEMBL2089246 0.77 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2RAB9ACYP1A2CYP2C19
SCHEMBL17552707 0.77 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2RAB9ACYP1A2CYP2C19
SCHEMBL13647058 0.77 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2RAB9ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 WO claimed
WO-2012100436-A1 COMPOUND AS ANTAGONIST OF LYSOPHOSPHATIDIC ACID RECEPTOR, COMPOSITION, AND USE THEREOF CUREGENIX INC. (CN) 2012-08-02 WO claimed
EP-1599201-B1 SELECTIVE NON-STEROIDAL GLUCOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-04-14 EP claimed
US-7411073-B2 Selective non-steroidal glucocorticoid receptor modulators MERCK & CO., INC. (US) 2008-08-12 US claimed
US-20060074120-A1 cyclopent[f]pyrazole derivatives; antiinflammatory agent; autoimmune diseases; side effect reduction, advantages over steroidal glucocorticoid ligands with respect to undesireable side-effects, efficacy, toxicity or metabolism MERCK SHARP & DOHME CORP. 2006-04-06 US claimed
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 WO disclosed
EP-2496556-B1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2018-12-26 EP disclosed
EP-3074377-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2016-10-05 EP disclosed
WO-2016026830-A1 NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-02-25 WO disclosed
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 WO disclosed
US-9018383-B2 Acylamino-substituted cyclic carboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2015-04-28 US disclosed
US-20140088158-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-03-27 US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
CN-1478082-A Pyrimidine compound and application thereof ס�ѻ�ѧ��ҵ��ʽ���� 2004-02-25 CN disclosed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 EP disclosed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 WO disclosed
EP-0421227-B1 1-Hydroxy-1,2,4-triazole derivatives and fungicides containing them and growth regulators BASF AG (DE) 1994-06-15 EP disclosed
US-5081142-A DERIVATIVES OF 1-HYDROXY-1,2,4-TRIAZOLE AND FUNGICIDES AND GROWTH REGULATORS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1992-01-14 US disclosed
EP-0421227-A2 1-Hydroxy-1,2,4-triazole derivatives and fungicides containing them and growth regulators BASF Aktiengesellschaft (DE) 1991-04-10 EP 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-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD ALDH1A1 654/4885SMN1; SMN2 2180/4885RAB9A 1090/4885
US-20140088158-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS LPAR2, LIPG, EDF1 ALDH1A1 1362/4885SMN1; SMN2 4093/4885RAB9A 1514/4885
US-20060074120-A1 cyclopent[f]pyrazole derivatives; antiinflammatory agent; autoimmune diseases; side effect reduction, advantages over steroidal glucocorticoid ligands with respect to undesireable side-effects, efficacy, toxicity or metabolism NR3C1, NR3C2, NR5A1 ALDH1A1 1631/4885SMN1; SMN2 4714/4885RAB9A 3340/4885

“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.