SCHEMBL4835333

SCHEMBL4835333

COP(=O)(Cc1ccc(NC(=O)CCc2nncn2-c2ccc(F)cc2)cc1)OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 3/20 0.41
THRB P10828 1/20 0.41
RXFP1 Q9HBX9 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPK1 P28482 1/20 0.38
MCHR1 Q99705 1/20 0.38
CYP3A4 P08684 1/20 0.38
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
SCHEMBL4836520 0.91 TP53 (0.42) ATMNPSR1TP53THRBRXFP1
SCHEMBL4833529 0.88 ENPP2 (0.45) ATMNPSR1TP53THRBRXFP1
SCHEMBL4836713 0.83 CYP11B1 (0.48) ATMNPSR1TP53THRBRXFP1
SCHEMBL6432392 0.81 RAB9A (0.40) ATMNPSR1TP53THRBRXFP1
SCHEMBL6432385 0.80 RAB9A (0.40) ATMNPSR1TP53THRBRXFP1
SCHEMBL4835322 0.80 RXFP1 (0.41) ATMNPSR1TP53RXFP1ALDH1A1
SCHEMBL4831225 0.79 NPC1 (0.39) ATMNPSR1TP53THRBALDH1A1
SCHEMBL4836514 0.79 RAB9A (0.41) ATMNPSR1TP53THRBRXFP1
SCHEMBL27632023 0.77 RAB9A (0.43) ATMNPSR1TP53THRBRXFP1
SCHEMBL4837021 0.74 CYP11B1 (0.44) ATMNPSR1TP53THRBRXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 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 (2 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ATM 3758/4885NPSR1 339/4885TP53 4623/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ATM 3758/4885NPSR1 339/4885TP53 4623/4885

“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.