SCHEMBL4289358

SCHEMBL4289358

CN(C(=O)c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1N)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
ATM Q13315 1/20 0.39
ABCC1 P33527 2/20 0.37
TRPA1 O75762 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
MGLL Q99685 1/20 0.36
POLB P06746 3/20 0.36
CNR1 P21554 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
FPR1 P21462 1/20 0.36
PABPC1 P11940 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
BLM P54132 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4285161 0.83 MAPT (0.41) RAB9AHPGDTSHRNPC1ATM
SCHEMBL7517927 0.76 PDE10A (0.44) RAB9AHPGDTSHRNPC1POLB
SCHEMBL4289310 0.76 ALDH1A1 (0.37) HPGDTSHRPOLBMEN1KMT2A
SCHEMBL7513699 0.75 PDE10A (0.45) RAB9AHPGDTSHRNPC1POLB
SCHEMBL4286953 0.75 PDE10A (0.42) HPGDTSHRPOLBALDH1A1MAPT
SCHEMBL4285291 0.73 TP53 (0.44) RAB9AHPGDTSHRNPC1KMT2A
SCHEMBL7510001 0.71 PDE10A (0.42) TSHRCNR1ALDH1A1
SCHEMBL3085598 0.67 HSP90AA1 (0.47) RAB9AHPGDTSHRNPC1ATM
SCHEMBL4359670 0.67 HPGD (0.59) RAB9AHPGDTSHRNPC1ATM
SCHEMBL5262823 0.67 HPGD (0.68) RAB9AHPGDTSHRNPC1ATM

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 291/4885HPGD 2563/4885TSHR 2251/4885

“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.