SCHEMBL4240080

SCHEMBL4240080

CC(=O)c1ccccc1OCc1c(C)nn(-c2ccc(C#N)cc2)c1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.50
SLC34A1 Q06495 3/20 0.45
NR3C1 P04150 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
AKR1C3 P42330 1/20 0.38
P2RX7 Q99572 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 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
SCHEMBL4237717 0.85 AR (0.56) ARSLC34A1NPC1RAB9ATSHR
SCHEMBL4236402 0.84 AR (0.63) AR
SCHEMBL4307201 0.83 AR (0.54) ARSLC34A1NR3C1NPC1RAB9A
SCHEMBL4234713 0.82 MAPT (0.54) ARSLC34A1RAB9ALMNAMAPK1
SCHEMBL4308928 0.81 AR (0.53) ARSLC34A1LMNASMN1; SMN2KDM4E
SCHEMBL4233150 0.79 AR (0.60) ARSLC34A1NPC1RAB9AMEN1
SCHEMBL4238429 0.79 AR (0.52) ARSLC34A1NR3C1MEN1KMT2A
SCHEMBL4237455 0.77 AR (0.52) ARSLC34A1NPC1RAB9ATSHR
SCHEMBL4233511 0.77 AR (0.70) ARSLC34A1KDM4EP2RX7
SCHEMBL4303853 0.77 AR (0.60) ARSLC34A1LMNASMN1; SMN2ALDH1A1

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 4 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

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 1375/4885NR3C1 65/4885

“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.