SCHEMBL4153690

SCHEMBL4153690

CNCc1ccc(C(N)=O)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PARP1 P09874 2/20 0.41
PARP2 Q9UGN5 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
APOBEC3A P31941 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
APOBEC3G Q9HC16 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
SCHEMBL15893987 0.80 HTT (0.77) HTTALDH1A1LMNAMAPTCYP2D6
SCHEMBL3297500 0.79 NPC1 (0.46) HTTALDH1A1GAALMNAMAPT
SCHEMBL4140757 0.76 TDP1 (0.45) HTTALDH1A1GAALMNAMAPT
SCHEMBL4151561 0.76 TDP1 (0.67) HTTALDH1A1GAALMNAMAPT
SCHEMBL1936045 0.76 HTT (0.56) HTTALDH1A1GAALMNAMAPT
SCHEMBL18163838 0.75 CD274 (0.53) HTTMAPTCYP2D6CYP2C9CYP2C19
SCHEMBL19801525 0.75 TDP1 (0.44) HTTALDH1A1GAALMNAMAPT
SCHEMBL14983807 0.74 POLB (0.51) HTTLMNACYP2C9TDP1POLB
SCHEMBL4150589 0.74 PLA2G10 (0.56) HTTALDH1A1GAALMNAMAPT
SCHEMBL29041312 0.74 MAPT (0.49) HTTALDH1A1GAALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B HTT 3425/4885ALDH1A1 2731/4885GAA 4511/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B HTT 3942/4885ALDH1A1 2713/4885GAA 4714/4885

“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.