SCHEMBL7035579

SCHEMBL7035579

CC(C)(C)c1nc2ccc(N)c(Br)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN10A Q9Y5Y9 2/20 0.36
KCNH2 Q12809 1/20 0.36
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
IMPDH2 P12268 1/20 0.31

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
SCHEMBL7087262 0.83 MAPT (0.47) L3MBTL1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL7032567 0.77 CSNK2A1 (0.41) ALDH1A1SMN1; SMN2ADORA3KDM4EMAPT
SCHEMBL7032478 0.73 DDAH1 (0.42) L3MBTL1SMN1; SMN2ADORA3ADORA2AADORA1
SCHEMBL7036355 0.73 KDM4E (0.39) ALDH1A1SCN10AADORA3ADORA2AADORA1
SCHEMBL7035577 0.73 L3MBTL1 (0.41) L3MBTL1ALDH1A1SMN1; SMN2SCN10AKCNH2
SCHEMBL13542758 0.69 L3MBTL1 (0.39) L3MBTL1ALDH1A1SMN1; SMN2SCN10AKCNH2
SCHEMBL7033444 0.69 MAPT (0.42) ALDH1A1ADORA3ADORA2AADORA1KDM4E
SCHEMBL5942607 0.68 TGFBR1 (0.39) L3MBTL1ALDH1A1SMN1; SMN2SCN10AKCNH2
SCHEMBL12057078 0.68 MEN1 (0.44) L3MBTL1ALDH1A1SMN1; SMN2ADORA3ADORA2A
SCHEMBL7025906 0.68 ADRA2A (0.55) ALDH1A1KDM4EMAPT

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 L3MBTL1 437/4885ALDH1A1 938/4885SMN1; SMN2 2203/4885
US-20020072536-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 L3MBTL1 414/4885ALDH1A1 923/4885SMN1; SMN2 2392/4885
US-20030022927-A1 Novel benzimidazole derivatives OPRL1, OPRD1, OPRM1 L3MBTL1 351/4885ALDH1A1 1022/4885SMN1; SMN2 2343/4885
US-20030181730-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 L3MBTL1 437/4885ALDH1A1 938/4885SMN1; SMN2 2203/4885

“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.