SCHEMBL3094908

SCHEMBL3094908

CCc1cc(Br)cc(C(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 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
HCAR2 Q8TDS4 3/20 0.41
MCL1 Q07820 4/20 0.40
RXFP1 Q9HBX9 1/20 0.38
PPARA Q07869 1/20 0.38
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
GPR35 Q9HC97 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 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
SCHEMBL13306938 0.83 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2ALOX15TSHR
SCHEMBL13306942 0.83 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2ALOX15TSHR
SCHEMBL1421848 0.81 GPR35 (0.41) ALDH1A1ALOX15TSHRHIF1AHCAR2
SCHEMBL3094672 0.80 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2RXFP1POLB
SCHEMBL137184 0.80 ALOX15 (0.61) KDM4EALDH1A1SMN1; SMN2ALOX15TSHR
SCHEMBL10130004 0.79 NOS3 (0.50) SMN1; SMN2ALOX15TSHRHIF1AHCAR2
Hydrochloric Acid SCHEMBL28437239 0.78 ALOX15 (0.58) KDM4EALDH1A1SMN1; SMN2ALOX15TSHR
SCHEMBL1465727 0.77 NOS3 (0.43) RXFP1PPARALMNANPC1RAB9A
SCHEMBL29084219 0.75 ALOX15 (0.50) KDM4EALDH1A1SMN1; SMN2ALOX15TSHR
SCHEMBL1424923 0.75 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2ALOX15TSHR

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 KDM4E 1168/4885ALDH1A1 852/4885SMN1; SMN2 2966/4885

“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.