SCHEMBL10215342

SCHEMBL10215342

NC(=O)c1cc(Br)cc(C(F)(F)F)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
EPRS1 P07814 1/20 0.36
NOTUM Q6P988 1/20 0.36
MAPK10 P53779 2/20 0.35
MAPK8 P45983 1/20 0.35
CFTR P13569 2/20 0.35
GLA P06280 1/20 0.34
IKBKB O14920 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADRB2 P07550 4/20 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
SCHEMBL30333121 0.86 KDM4E (0.46) KDM4EALDH1A1EPRS1NOTUMCFTR
SCHEMBL10215345 0.86 KDM4E (0.46) KDM4EALDH1A1EPRS1NOTUMCFTR
SCHEMBL11623934 0.84 EPRS1 (0.35) KDM4ELMNAEPRS1NOTUMCFTR
Hydrochloric Acid SCHEMBL11623942 0.84 KDM4E (0.44) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL10216021 0.82 L3MBTL1 (0.39) DGAT1KDM4EMEN1MAPTKMT2A
SCHEMBL23301178 0.80 CES2 (0.46) KDM4EKMT2AALDH1A1LMNACFTR
SCHEMBL14976700 0.79 NOTUM (0.35) KDM4EEPRS1NOTUMCFTRGLA
SCHEMBL20610192 0.76 DGAT1 (0.55) DGAT1KDM4EMAPTLMNANOTUM
SCHEMBL1330833 0.76 DGAT1 (0.59) DGAT1KDM4ELMNAEPRS1MAPK10
SCHEMBL30417355 0.76 DGAT1 (0.55) DGAT1KDM4EMAPTLMNANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012109100-A1 SUBSTITUTED BENZIMDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-08-16 WO disclosed
US-20120202856-A1 SUBSTITUTED BENZIMDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-09 US disclosed
US-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2012-03-01 US disclosed
WO-2011156610-A2 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2011-12-15 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 (2 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-20120202856-A1 SUBSTITUTED BENZIMDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 DGAT1 2226/4885KDM4E 2484/4885MEN1 3850/4885
US-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, FABP1, EIF2AK2 DGAT1 1277/4885KDM4E 4201/4885MEN1 4882/4885

“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.