SCHEMBL4148977

SCHEMBL4148977

C=Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(C(=O)OCC)c(OC)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ELANE P08246 2/20 0.36
MCL1 Q07820 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
LMNA P02545 3/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
MAPT P10636 2/20 0.34
NR1I2 O75469 1/20 0.34
CHRM2 P08172 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADRA2B P18089 1/20 0.34
SLC6A4 P31645 1/20 0.34
OPRK1 P41145 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PDE4D Q08499 1/20 0.34
KCNH2 Q12809 1/20 0.34
TP53 P04637 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
SCHEMBL4146423 0.88 MAPK1 (0.34) MAPTMAPK1TDP1ACSS2
SCHEMBL4157675 0.85 MAPK1 (0.38) TSHRELANEFNTAFNTBMAPT
SCHEMBL4157669 0.85 MAPK1 (0.38) TSHRELANEFNTAFNTBMAPT
SCHEMBL4145467 0.85 TSHR (0.38) TSHRELANELMNAMAPTPDE4D
SCHEMBL4149033 0.84 FNTA (0.35) ELANEFNTAFNTBLMNAOPRM1
SCHEMBL4149027 0.84 FNTA (0.35) ELANEFNTAFNTBLMNAOPRM1
SCHEMBL4144586 0.83 TUBB4A (0.36) TSHRELANEFNTAFNTBLMNA
SCHEMBL4144588 0.83 TUBB4A (0.36) TSHRELANEFNTAFNTBLMNA
SCHEMBL4144001 0.82 ELANE (0.36) ELANEFNTAFNTBLMNAMAPT
SCHEMBL4143996 0.82 ELANE (0.36) ELANEFNTAFNTBLMNAMAPT

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 TSHR 814/4885ELANE 3610/4885MCL1 966/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B TSHR 992/4885ELANE 3685/4885MCL1 592/4885

“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.