SCHEMBL7032475

SCHEMBL7032475

CCc1nc2c(Br)c(N)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.42
ADORA3 P0DMS8 3/20 0.39
ADORA1 P30542 3/20 0.39
ADORA2A P29274 2/20 0.39
CHEK1 O14757 1/20 0.39
GAA P10253 4/20 0.37
HTT P42858 2/20 0.37
RPS6KA3 P51812 1/20 0.36
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
MMP12 P39900 2/20 0.34
GLA P06280 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL8805598 0.87 KDM4E (0.40) ADORA3ADORA1ADORA2ACHEK1GAA
SCHEMBL8807973 0.83 KDM4E (0.48) ADORA3ADORA1ADORA2ACHEK1GAA
SCHEMBL19329481 0.80 DDAH1 (0.42) DDAH1ADORA3ADORA1ADORA2ACHEK1
SCHEMBL7575266 0.80 CACNA1H (0.44) CHEK1GAAHTTRPS6KA3ALDH1A1
SCHEMBL7032565 0.77 PARP1 (0.42) ADORA3GAAHTTRPS6KA3ALDH1A1
SCHEMBL8599171 0.76 CHEK1 (0.61) DDAH1ADORA3ADORA1ADORA2ACHEK1
SCHEMBL7035577 0.73 L3MBTL1 (0.41) GAARPS6KA3ALDH1A1RAB9ANPC1
SCHEMBL7032478 0.73 DDAH1 (0.42) DDAH1ADORA3ADORA1ADORA2AGAA
SCHEMBL7036353 0.73 HSD17B10 (0.39) GAARPS6KA3ALDH1A1RAB9ANPC1
SCHEMBL2430764 0.73 GAA (0.44) DDAH1ADORA3ADORA1ADORA2AGAA

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 DDAH1 2093/4885ADORA3 406/4885ADORA1 676/4885
US-20020072536-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 DDAH1 2112/4885ADORA3 418/4885ADORA1 695/4885
US-20030022927-A1 Novel benzimidazole derivatives OPRL1, OPRD1, OPRM1 DDAH1 2232/4885ADORA3 515/4885ADORA1 891/4885
US-20030181730-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 DDAH1 2093/4885ADORA3 406/4885ADORA1 676/4885

“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.