SCHEMBL940808

SCHEMBL940808

Oc1ncc(C(F)(F)F)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
PLAU P00749 1/20 0.39
AGBL2 Q5U5Z8 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
CASP1 P29466 1/20 0.34
RECQL P46063 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL5557029 0.85 KMT2A (0.35) ALDH1A1PLAUAGBL2KDM4EGAA
SCHEMBL12733196 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EGAAHTTL3MBTL1
SCHEMBL1498826 0.78 ALDH1A1 (0.43) ALDH1A1PLAUAGBL2KDM4EGAA
SCHEMBL28641181 0.78 ALDH1A1 (0.47) ALDH1A1PLAUAGBL2KDM4EGAA
SCHEMBL31153021 0.78 ALDH1A1 (0.39) ALDH1A1PLAUAGBL2KDM4EGAA
SCHEMBL1336778 0.78 ALDH1A1 (0.39) ALDH1A1PLAUAGBL2KDM4EGAA
SCHEMBL10354420 0.78 ALDH1A1 (0.39) ALDH1A1PLAUAGBL2KDM4EGAA
SCHEMBL29955314 0.78 AGBL2 (0.41) ALDH1A1PLAUAGBL2KDM4EGAA
SCHEMBL10462276 0.77 AGBL2 (0.51) ALDH1A1PLAUAGBL2KDM4EGAA
SCHEMBL30966491 0.77 ALDH1A1 (0.42) ALDH1A1PLAUAGBL2KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612131-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2025-09-10 EP disclosed
US-20250163038-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. 2025-05-22 US disclosed
US-20240383904-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-11-21 US disclosed
WO-2024095003-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2024-05-10 WO disclosed
US-20240150364-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2024-05-09 US disclosed
EP-4359381-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-05-01 EP disclosed
CN-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 CN disclosed
CN-117083274-A Fused ring heterocyclic derivative and application thereof in medicine 四川海思科制药有限公司 2023-11-17 CN disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
CN-1950085-A 3- (4-heteroarylcyclohexylamino) cyclopentanecarboxamides as chemokine receptor modulators INCYTE CORP (US) 2007-04-18 CN disclosed
EP-1746997-A2 3-(4-HETEROARYLCYCLOHEXYLAMINO) CZCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS Incyte Corporation (US) 2007-01-31 EP disclosed
US-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-04-06 US disclosed
WO-2005115392-A2 3-(4-HETEROARYLCYCLOHEXYLAMINO) CYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-12-08 WO disclosed
US-20050267146-A1 3-(4-Heteroarylcyclohexylamino)cyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION 2005-12-01 US disclosed
EP-1592689-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-11-09 EP disclosed
WO-2004069162-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-08-19 WO disclosed
US-6225320-B1 TREATMENT OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTTHERPETIC NEURALGIA MERCK SHARP & DOHME LTD. (GB) 2001-05-01 US disclosed
EP-0989987-A1 SPIRO-AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2000-04-05 EP disclosed
WO-1998054187-A1 SPIRO-AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1998-12-03 WO 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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 ALDH1A1 1859/4885PLAU 1052/4885AGBL2 1023/4885
US-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 ALDH1A1 686/4885PLAU 274/4885AGBL2 76/4885
US-20250163038-A1 CBL-B MODULATORS AND USES THEREOF CBLB, CBL, CBLC ALDH1A1 4185/4885PLAU 4017/4885AGBL2 105/4885
US-20240383904-A1 HETEROCYCLIC COMPOUNDS MAGI3, MAG, MAGT1 ALDH1A1 1488/4885PLAU 2745/4885AGBL2 644/4885
US-20240150364-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885PLAU 1220/4885AGBL2 3141/4885
US-20050267146-A1 3-(4-Heteroarylcyclohexylamino)cyclopentanecarboxamides as modulators of chemokine receptors CCR5, CXCR3, CCR2 ALDH1A1 1490/4885PLAU 3302/4885AGBL2 1819/4885

“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.