SCHEMBL4150248

SCHEMBL4150248

CNC(=O)NC.COc1c(C(=O)O)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
TRPA1 O75762 1/20 0.35
CTSL P07711 2/20 0.34
NFE2L2 Q16236 2/20 0.33
KDR P35968 2/20 0.33
FGFR1 P11362 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHEK1 O14757 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
NEK2 P51955 1/20 0.33
PLK1 P53350 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32

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
SCHEMBL4137384 0.94 NFE2L2 (0.38) TRPA1CTSLNFE2L2KDRFGFR1
SCHEMBL4137389 0.94 NFE2L2 (0.38) TRPA1CTSLNFE2L2KDRFGFR1
SCHEMBL4148215 0.93 POLB (0.35) POLBTRPA1CTSLNFE2L2KDR
SCHEMBL4145979 0.93 MAPK1 (0.35) POLBTRPA1CTSLKDRFGFR1
SCHEMBL4139706 0.91 CCR3 (0.36) DRD2DRD4DRD3
SCHEMBL4145455 0.91 KCNA3 (0.35) POLBTRPA1KDRSMN1; SMN2CHEK1
SCHEMBL4144223 0.91 MAOA (0.35) POLBTRPA1CTSLNFE2L2KDR
SCHEMBL4146147 0.90 CNR1 (0.37) POLBNPC1LMNARAB9ASMN1; SMN2
SCHEMBL4141208 0.90 DRD2 (0.36) POLBLMNASMN1; SMN2MAPK1DRD2
SCHEMBL4157510 0.90 CNR1 (0.37) POLBNPC1LMNARAB9ASMN1; SMN2

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 POLB 2798/4885TRPA1 2083/4885CTSL 4560/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B POLB 2534/4885TRPA1 1859/4885CTSL 4660/4885

“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.