SCHEMBL4311052

SCHEMBL4311052

Cc1cc(Cl)ccc1OCc1c(C)nn(-c2ccc(C#N)cc2)c1C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.49
SLC34A1 Q06495 5/20 0.43
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
P2RX7 Q99572 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL4299551 0.89 AR (0.47) ARSLC34A1ALDH1A1SMN1; SMN2P2RX7
SCHEMBL4303853 0.87 AR (0.60) ARSLC34A1ALDH1A1SMN1; SMN2P2RX7
SCHEMBL4238795 0.86 AR (0.57) AR
SCHEMBL4232172 0.85 AR (0.54) ARSLC34A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4237717 0.84 AR (0.56) ARSLC34A1ALDH1A1P2RX7NPC1
SCHEMBL4241563 0.83 AR (0.52) ARSLC34A1P2RX7
SCHEMBL4239516 0.83 AR (0.58) ARSLC34A1ALDH1A1SMN1; SMN2P2RX7
SCHEMBL4307201 0.82 AR (0.54) ARSLC34A1SMN1; SMN2P2RX7LMNA
SCHEMBL4233150 0.81 AR (0.60) ARSLC34A1ALDH1A1LMNAMAPT
SCHEMBL4239307 0.80 AR (0.60) ARSLC34A1P2RX7

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-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
WO-2009119880-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 WO disclosed
WO-2009119880-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 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 (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-20090270361-A1 Substituted pyrazole derivatives and use thereof CBR3, CBR1, NOX5 AR 622/4885SLC34A1 1375/4885ALDH1A1 1105/4885

“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.