SCHEMBL4831363

SCHEMBL4831363

COC(=O)c1nnsc1-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
PTGS2 P35354 2/20 0.49
PTGS1 P23219 2/20 0.48
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
IKBKB O14920 1/20 0.43
KDM4E B2RXH2 5/20 0.42
PKM P14618 2/20 0.42

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
SCHEMBL6814697 0.84 ALDH1A1 (0.57) ALDH1A1HSD17B10CYP1A2CYP2C9MEN1
SCHEMBL22322461 0.83 ALDH1A1 (0.51) ALDH1A1HSD17B10CYP1A2CYP2C9MEN1
SCHEMBL28623297 0.77 IKBKB (0.47) ALDH1A1HSD17B10PTGS2PTGS1SLC6A4
SCHEMBL983034 0.76 PTGS1 (0.51) ALDH1A1HSD17B10CYP1A2PTGS2PTGS1
SCHEMBL271104 0.75 KDM4E (0.53) ALDH1A1HSD17B10PTGS2PTGS1SMN1; SMN2
SCHEMBL924140 0.75 KDM4E (0.53) ALDH1A1HSD17B10PTGS2PTGS1SLC6A4
SCHEMBL496375 0.74 KDM4E (0.75) ALDH1A1HSD17B10PTGS2PTGS1SLC6A4
SCHEMBL7586906 0.72 ILK (0.55) ALDH1A1HSD17B10CYP1A2CYP2C9MEN1
SCHEMBL924869 0.72 KDM4E (0.48) ALDH1A1HSD17B10PTGS2PTGS1SLC6A4
SCHEMBL2056898 0.71 KDM4E (0.50) ALDH1A1HSD17B10PTGS2PTGS1SLC6A4

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 6 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
CN-1731994-A Prophylactic and therapeutic agent for neuropathy TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-08 CN 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 2652/4885HSD17B10 625/4885CYP1A2 231/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885HSD17B10 625/4885CYP1A2 231/4885

“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.