SCHEMBL6470677

SCHEMBL6470677

CCOc1cc(-n2nc(C(N)=O)c(N)c2C(=O)O)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 3/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PKM P14618 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
IKBKB O14920 1/20 0.34
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6467658 0.89 ALDH1A1 (0.55) HSD17B10KDM4EALDH1A1HPGDTSHR
SCHEMBL6470262 0.79 KMT2A (0.36) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL6465828 0.76 ALKBH5 (0.45) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL6505988 0.76 NPC1 (0.40) HSD17B10KDM4EALDH1A1HPGDTSHR
SCHEMBL6469689 0.75 ALDH1A1 (0.56) HSD17B10KDM4EALDH1A1HPGDTSHR
SCHEMBL6470216 0.73 ALDH1A1 (0.53) HSD17B10KDM4EALDH1A1HPGDTSHR
SCHEMBL6470354 0.72 CA1 (0.48) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL6468065 0.71 ITK (0.43) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL6502036 0.70 HPGD (0.36) HSD17B10KDM4EALDH1A1HPGDTSHR
SCHEMBL6470586 0.70 RPA1 (0.39) HSD17B10KDM4EALDH1A1HPGDMEN1

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
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 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 (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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 HSD17B10 3904/4885KDM4E 2424/4885ALDH1A1 846/4885

“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.