SCHEMBL4829432

SCHEMBL4829432

Cc1coc(Cc2ccc(N)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
USP2 O75604 1/20 0.48
MAPK10 P53779 1/20 0.48
CYP3A4 P08684 4/20 0.45
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 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
SCHEMBL11558024 0.82 KMT2A (0.45) NPC1RAB9ASMN1; SMN2CYP3A4ALDH1A1
SCHEMBL5625170 0.82 ESR1 (0.45) NPC1RAB9AALDH1A1GFER
SCHEMBL11453485 0.81 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL4831337 0.81 CYP3A4 (0.43) NPC1RAB9ASMN1; SMN2USP2MAPK10
SCHEMBL1819381 0.80 MAOA (0.40) NPC1RAB9ASMN1; SMN2USP2MAPK10
SCHEMBL4833367 0.76 MAPT (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL11563998 0.70 TAAR1 (0.42) MAPT
SCHEMBL31043960 0.69 RAB9A (0.49) NPC1RAB9ASMN1; SMN2USP2MAPK10
SCHEMBL5310580 0.68 ACHE (0.56) NPC1RAB9ASMN1; SMN2CYP3A4ALDH1A1
SCHEMBL7071890 0.68

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 NPC1 1170/4885RAB9A 4059/4885SMN1; SMN2 75/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 NPC1 1170/4885RAB9A 4059/4885SMN1; SMN2 75/4885

“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.