SCHEMBL4829162

SCHEMBL4829162

Cn1ncc(C=CC(=O)O)c1-c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 3/20 0.48
ALDH1A1 P00352 2/20 0.48
CCNC P24863 3/20 0.45
CDK8 P49336 3/20 0.45
PTGS1 P23219 5/20 0.44
HIF1A Q16665 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
NFKB1 P19838 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL4829146 1.00 NPC1 (0.48) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL4836380 0.82 KDM4E (0.46) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL4836372 0.82 KDM4E (0.46) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL4829106 0.81 PTGS1 (0.54) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL4825676 0.81 HIF1A (0.49) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL4829098 0.81 PTGS1 (0.54) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL7261111 0.80 PTGS1 (0.41) NPC1RAB9ASMN1; SMN2CCNCCDK8
SCHEMBL4825815 0.78 CCNC (0.49) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL4833832 0.78 CCNC (0.49) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL4825825 0.78 CCNC (0.49) NPC1RAB9ASMN1; SMN2KDM4EHPGD

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 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.