SCHEMBL4825898

SCHEMBL4825898

Cc1nn(C)c(-c2ccc(F)cc2)c1/C=C/C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GRM5 P41594 16/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL4825907 1.00 ALDH1A1 (0.56) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL4831198 0.80 PGR (0.42) ALDH1A1SMN1; SMN2GRM5
SCHEMBL963861 0.80 ALDH1A1 (0.51) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL963863 0.80 ALDH1A1 (0.51) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL21981602 0.76 CYP1A2 (0.50) GRM5MAPT
SCHEMBL4825815 0.75 CCNC (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2GRM5
SCHEMBL4833832 0.75 CCNC (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2GRM5
SCHEMBL4825825 0.75 CCNC (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2GRM5
SCHEMBL4825853 0.74 GRM5 (0.42) ALDH1A1GAASMN1; SMN2GRM5MAPT
SCHEMBL4825840 0.74 GRM5 (0.42) ALDH1A1GAASMN1; SMN2GRM5MAPT

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 5 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
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO 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 ALDH1A1 2652/4885GAA 4645/4885L3MBTL1 3524/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885GAA 4645/4885L3MBTL1 3524/4885

“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.