SCHEMBL4831337

SCHEMBL4831337

CCc1coc(Cc2ccc(N)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
USP2 O75604 1/20 0.43
MAPK10 P53779 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
TP53 P04637 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 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
SCHEMBL11453522 0.82 TP53 (0.41) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL4829432 0.81 NPC1 (0.48) CYP3A4ALDH1A1TSHRTDP1NPC1
SCHEMBL4833873 0.76 POLB (0.47) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL48962 0.72 TAAR1 (0.35) TSHRHRH3CYP2C9CYP2C19LOXL2
SCHEMBL13666710 0.71 TDP1 (0.44) CYP3A4ALDH1A1TSHRTDP1NPC1
SCHEMBL4613103 0.68 CYP3A4 (0.74) CYP3A4ALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL4836129 0.68 MAPT (0.45) CYP3A4ALDH1A1TSHRTDP1NPC1
SCHEMBL2046063 0.67
SCHEMBL11919087 0.66
SCHEMBL15660842 0.66 CYP3A4 (0.48) CYP3A4ALDH1A1TSHRTDP1NPC1

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 CYP3A4 2152/4885ALDH1A1 2652/4885TSHR 1173/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CYP3A4 2152/4885ALDH1A1 2652/4885TSHR 1173/4885

“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.