SCHEMBL3087546

SCHEMBL3087546

CC(C)c1cc(Br)cc(C(=O)O)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
MCL1 Q07820 5/20 0.40
RXFP1 Q9HBX9 1/20 0.38
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
DHODH Q02127 1/20 0.35
GPR35 Q9HC97 1/20 0.34
PTPN1 P18031 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
SCHEMBL137184 0.80 ALOX15 (0.61) HCAR2KDM4EALDH1A1SMN1; SMN2ALOX15
SCHEMBL17465991 0.79 NOS3 (0.50) HCAR3HCAR2KDM4EALDH1A1ALOX15
Hydrochloric Acid SCHEMBL28437239 0.78 ALOX15 (0.58) HCAR2KDM4EALDH1A1SMN1; SMN2ALOX15
SCHEMBL31336152 0.75 ALDH1A1 (0.47) HCAR2KDM4EALDH1A1SMN1; SMN2ALOX15
SCHEMBL29084219 0.75 ALOX15 (0.50) HCAR2KDM4EALDH1A1SMN1; SMN2ALOX15
SCHEMBL1424923 0.75 ALDH1A1 (0.47) HCAR2KDM4EALDH1A1SMN1; SMN2ALOX15
SCHEMBL5918457 0.74 KDM4E (0.50) HCAR2KDM4EALDH1A1SMN1; SMN2ALOX15
SCHEMBL31500516 0.74 KDM4E (0.50) HCAR2KDM4EALDH1A1SMN1; SMN2ALOX15
SCHEMBL3087311 0.74 HCAR3 (0.41) HCAR3HCAR2KDM4EALDH1A1ALOX15
SCHEMBL1425370 0.73 ALDH1A1 (0.46) HCAR2KDM4EALDH1A1SMN1; SMN2ALOX15

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
WO-2010100050-A1 PYRIDINE-2-YL-CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
US-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-09 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-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES GRM2, GRM1, GRM3 HCAR3 30/4885HCAR2 22/4885KDM4E 1168/4885

“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.