SCHEMBL7035627

SCHEMBL7035627

O=[N+]([O-])c1ccc2nc(C(c3ccccc3)c3ccccc3)[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
USP2 O75604 1/20 0.67
POLB P06746 1/20 0.67
MAPT P10636 5/20 0.61
NPBWR1 P48145 4/20 0.61
RAB9A P51151 4/20 0.61
NPC1 O15118 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
RIPK1 Q13546 2/20 0.57
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTT P42858 2/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
CASP3 P42574 1/20 0.53
MMP13 P45452 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53

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
SCHEMBL7035622 0.89 MEN1 (0.52) MEN1KMT2AUSP2POLBMAPT
SCHEMBL271677 0.80 MEN1 (0.74) MEN1KMT2AUSP2POLBMAPT
SCHEMBL5213718 0.80 MEN1 (0.74) MEN1KMT2AUSP2POLBMAPT
SCHEMBL10752988 0.78 MEN1 (0.70) MEN1KMT2AUSP2POLBMAPT
SCHEMBL31679090 0.76 NPBWR1 (1.00) MEN1KMT2APOLBMAPTNPBWR1
SCHEMBL2245102 0.76 NPBWR1 (1.00) MEN1KMT2APOLBMAPTNPBWR1
SCHEMBL7033890 0.76 MAPT (0.56) MEN1KMT2AUSP2POLBMAPT
SCHEMBL18689830 0.76 ALDH1A1 (0.62) MEN1KMT2AUSP2POLBMAPT
SCHEMBL17263165 0.75 MLKL (0.62) POLBRAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL28291113 0.75 MEN1 (0.65) MEN1KMT2AUSP2POLBMAPT

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 MEN1 4620/4885KMT2A 1709/4885USP2 3868/4885
US-20020072536-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 MEN1 4680/4885KMT2A 1638/4885USP2 3893/4885
US-20030022927-A1 Novel benzimidazole derivatives OPRL1, OPRD1, OPRM1 MEN1 4634/4885KMT2A 1951/4885USP2 3902/4885
US-20030181730-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 MEN1 4620/4885KMT2A 1709/4885USP2 3868/4885

“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.