SCHEMBL4292790

SCHEMBL4292790

N#CCCNC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1cc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 3/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ATM Q13315 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 2/20 0.40
TSHR P16473 4/20 0.39
MMP13 P45452 1/20 0.39
HPGD P15428 3/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
CTSS P25774 1/20 0.38

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
SCHEMBL4289272 0.85 CD274 (0.41) RAB9ASMN1; SMN2MAPTHTTALDH1A1
SCHEMBL4279964 0.85 TSHR (0.39) RAB9ASMN1; SMN2MAPTALDH1A1NPSR1
SCHEMBL4285132 0.84 IRAK4 (0.40) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL4279659 0.84 SMN1; SMN2 (0.41) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4288394 0.84 LMNA (0.39) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL4287284 0.81 HPGD (0.42) RAB9ANPC1MAPTALDH1A1NPSR1
SCHEMBL4288206 0.81 IRAK4 (0.37)
SCHEMBL4279713 0.81 CREBBP (0.38) RAB9ASMN1; SMN2ATMHPGDPOLB
SCHEMBL4288807 0.81 RORC (0.42)
SCHEMBL4284325 0.81 CD274 (0.36)

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-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 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 (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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP RAB9A 291/4885NPC1 1266/4885SMN1; SMN2 4064/4885

“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.