SCHEMBL17110281

SCHEMBL17110281

Cc1c(C(=O)N(Cc2ccc(F)cc2)CC(O)c2c(Cl)cncc2Cl)cnn1[C@H]1CC[C@H](C(C)=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HSP90AA1 P07900 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
MCHR1 Q99705 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
FAAH O00519 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30
NR3C1 P04150 1/20 0.30
GAA P10253 2/20 0.30
LMNA P02545 2/20 0.30

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
SCHEMBL17110292 0.92 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL17110280 0.88 ALDH1A1 (0.36) ALDH1A1MAPTHSP90AA1MAPK1NPSR1
SCHEMBL17110291 0.86 ALDH1A1 (0.33) ALDH1A1MAPTNPSR1
SCHEMBL17110278 0.85 ALDH1A1 (0.39) ALDH1A1MAPTHSP90AA1MAPK1NPSR1
SCHEMBL17110288 0.84
SCHEMBL17097992 0.83 TAS2R14 (0.34) ALDH1A1MAPTEGFRERBB2NR3C1
SCHEMBL17097996 0.83 TAS2R14 (0.34) ALDH1A1MAPTEGFRERBB2NR3C1
SCHEMBL17110297 0.82 ALDH1A1 (0.30) ALDH1A1MAPT
SCHEMBL17097674 0.82 TP53 (0.35) ALDH1A1MAPTNR3C1GAALMNA
SCHEMBL17097676 0.82 TP53 (0.35) ALDH1A1MAPTNR3C1GAALMNA

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-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US 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-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA ALDH1A1 923/4885MAPT 3584/4885HSP90AA1 2449/4885

“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.