SCHEMBL7033971

SCHEMBL7033971

O=[N+]([O-])c1ccc2ncn(C3CCCC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.52
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
HCAR1 Q9BXC0 5/20 0.45
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL17338776 0.94 FGFR1 (0.55) FGFR1HSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL22449395 0.87 ALDH1A1 (0.53) FGFR1HSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL22449397 0.84 ALDH1A1 (0.56) FGFR1HSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL12075903 0.84 FGFR1 (0.48) FGFR1HSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL12075901 0.84 FGFR1 (0.48) FGFR1HSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL26758104 0.83 L3MBTL1 (0.60) HSD17B10GAAL3MBTL1ALDH1A1NPC1
SCHEMBL17342218 0.81 FGFR1 (0.47) FGFR1GAAL3MBTL1ALDH1A1MAPT
SCHEMBL18762218 0.81 FGFR1 (0.47) FGFR1GAAL3MBTL1ALDH1A1MAPT
SCHEMBL1871066 0.78 HCAR1 (0.54) FGFR1GAAALDH1A1NPC1MAPT
SCHEMBL1594855 0.77 ALDH1A1 (0.49) HSD17B10GAAL3MBTL1ALDH1A1NPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030181730-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2003-09-25 US disclosed
US-20030022927-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2003-01-30 US disclosed
US-6436982-B1 USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-08-20 US disclosed
US-20020072536-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2002-06-13 US disclosed
US-6403626-B1 USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-06-11 US disclosed
US-20020065307-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2002-05-30 US disclosed
US-6316637-B1 SELECTIVE FOR CLONED HUMAN ALPHA 2 RECEPTORS AND ARE USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-11-13 US disclosed
EP-0775134-A4 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMA CORP (US) 1997-08-13 EP disclosed
EP-0775134-A1 Imidazolin-2-ylaminobenzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-28 EP disclosed
WO-1996004270-A1 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-02-15 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 (4 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-20020065307-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 FGFR1 1521/4885HSD17B10 1553/4885GAA 4379/4885
US-20020072536-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 FGFR1 1596/4885HSD17B10 1553/4885GAA 4317/4885
US-20030022927-A1 Novel benzimidazole derivatives OPRL1, OPRD1, OPRM1 FGFR1 1437/4885HSD17B10 1556/4885GAA 4272/4885
US-20030181730-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 FGFR1 1521/4885HSD17B10 1553/4885GAA 4379/4885

“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.