SCHEMBL4829316

SCHEMBL4829316

CCCc1nnc(Cc2ccc(N)cc2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
USP2 O75604 1/20 0.43
MAPK10 P53779 1/20 0.43
MAPT P10636 3/20 0.40
GFER P55789 2/20 0.39
KMT2A Q03164 2/20 0.38
ALOX12 P18054 1/20 0.38
HPGD P15428 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
HTT P42858 2/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP17A1 P05093 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
SCHEMBL1821441 0.81 MAPT (0.44) TSHRTDP1RAB9ANPC1SMN1; SMN2
SCHEMBL31043960 0.79 RAB9A (0.49) TSHRCYP3A4ALDH1A1TDP1RAB9A
SCHEMBL4829321 0.77 GFER (0.50) CYP3A4ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL14018820 0.77 MAPT (0.43) TSHRALDH1A1TDP1SMN1; SMN2USP2
SCHEMBL4833712 0.76 ALDH1A1 (0.60) TSHRALDH1A1RAB9ANPC1SMN1; SMN2
4,4'-Methylenedianiline SCHEMBL11590275 0.73 CYP3A4 (0.67) TSHRCYP3A4ALDH1A1TDP1MAPT
SCHEMBL27497051 0.73 CYP3A4 (0.67) TSHRCYP3A4ALDH1A1TDP1MAPT
SCHEMBL14874672 0.70 GFER (0.50) TSHRCYP3A4ALDH1A1TDP1RAB9A
SCHEMBL5962 0.70 GFER (0.68) TSHRCYP3A4ALDH1A1TDP1MAPT
SCHEMBL6309897 0.69

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

“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.