SCHEMBL4969475

SCHEMBL4969475

O=C(Nc1cccc(Br)c1O)C(Cl)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 8/20 0.46
CXCR1 P25024 7/20 0.46
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNQ2 O43526 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4971219 0.80 KCNQ2 (0.44) MEN1GAAKMT2AHTTALDH1A1
SCHEMBL4969147 0.80 KCNQ2 (0.47) MEN1GAAKMT2AHTTALDH1A1
SCHEMBL4969662 0.79 ALDH1A1 (0.47) MEN1GAAKMT2AHTTALDH1A1
SCHEMBL14157620 0.76 LMNA (0.46) CXCR2CXCR1MEN1KMT2AHTT
SCHEMBL5176882 0.75 KMT2A (0.52) MEN1GAAKMT2AALDH1A1NPC1
SCHEMBL2070180 0.75 ATM (0.43) CXCR2CXCR1MEN1GAAKMT2A
SCHEMBL4819698 0.75 CYP1A2 (0.58) GAAHTTALDH1A1NPC1MAPT
SCHEMBL4628522 0.73 CXCR2 (0.43) CXCR2CXCR1MEN1GAAKMT2A
SCHEMBL8636692 0.73 KDM4E (0.56) MEN1KMT2AALDH1A1NPC1KDM4E
SCHEMBL4971514 0.73 HTT (0.44) CXCR2CXCR1MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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 (1 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 CXCR2 1605/4885CXCR1 1256/4885MEN1 4288/4885

“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.