SCHEMBL7035367

SCHEMBL7035367

O=[N+]([O-])c1ccc2nc(C3CC3)[nH]c2c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
TDP1 Q9NUW8 1/20 0.61
RIPK1 Q13546 1/20 0.60
MAPT P10636 8/20 0.58
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
HTT P42858 4/20 0.58
CASP3 P42574 2/20 0.58
SENP8 Q96LD8 2/20 0.58
SENP7 Q9BQF6 2/20 0.58
SENP6 Q9GZR1 2/20 0.58
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58
MMP8 P22894 1/20 0.58
MMP13 P45452 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.57
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
LMNA P02545 3/20 0.57
POLB P06746 3/20 0.57

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
SCHEMBL22091228 0.94 RIPK1 (0.64) ALDH1A1TDP1RIPK1MAPTNPC1
SCHEMBL22091270 0.93 ALDH1A1 (0.58) ALDH1A1TDP1RIPK1MAPTNPC1
Hydrochloric Acid SCHEMBL22091257 0.92 ALDH1A1 (0.57) ALDH1A1TDP1RIPK1MAPTNPC1
SCHEMBL7970187 0.92 ALDH1A1 (0.56) ALDH1A1TDP1RIPK1MAPTNPC1
SCHEMBL3576328 0.88 ALDH1A1 (0.52) ALDH1A1TDP1RIPK1MAPTNPC1
SCHEMBL22091372 0.87 HTT (0.55) ALDH1A1TDP1RIPK1MAPTNPC1
SCHEMBL22091187 0.85 ALDH1A1 (0.52) ALDH1A1TDP1RIPK1MAPTNPC1
SCHEMBL22091378 0.85 RIPK1 (0.47) ALDH1A1TDP1RIPK1MAPTNPC1
SCHEMBL22091248 0.84 RAB9A (0.50) ALDH1A1TDP1RIPK1MAPTNPC1
SCHEMBL22091294 0.83 ALDH1A1 (0.50) ALDH1A1TDP1RIPK1MAPTNPC1

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 11 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-6495583-B1 DRUG FOR TREATING AN ALPHA-2 ADRENERGIC RECEPTOR ASSOCIATED DISORDER, NASAL CONGENSTION AND ALLEVIATING PAIN SYNAPTIC PHARMACEUTICAL CORPORATION 2002-12-17 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 ALDH1A1 938/4885TDP1 3735/4885RIPK1 4216/4885
US-20020072536-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 ALDH1A1 923/4885TDP1 3722/4885RIPK1 4284/4885
US-20030022927-A1 Novel benzimidazole derivatives OPRL1, OPRD1, OPRM1 ALDH1A1 1022/4885TDP1 3488/4885RIPK1 4383/4885
US-20030181730-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 ALDH1A1 938/4885TDP1 3735/4885RIPK1 4216/4885

“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.