SCHEMBL7034458

SCHEMBL7034458

O=[N+]([O-])c1ccc2c(c1)ncn2CCO

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.68
BRD4 O60885 1/20 0.55
KCNH2 Q12809 1/20 0.55
ALDH1A1 P00352 4/20 0.53
MAPT P10636 6/20 0.51
POLB P06746 2/20 0.49
ATM Q13315 1/20 0.49
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NR1I2 O75469 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7030954 0.89 PKM (0.54) PKMBRD4KCNH2ALDH1A1MAPT
SCHEMBL9570463 0.87 PKM (0.70) PKMBRD4KCNH2ALDH1A1MAPT
SCHEMBL19911366 0.86 PKM (0.68) PKMBRD4KCNH2ALDH1A1MAPT
SCHEMBL9039302 0.84 PKM (0.67) PKMBRD4KCNH2ALDH1A1MAPT
SCHEMBL11559748 0.83 PKM (0.65) PKMBRD4KCNH2ALDH1A1MAPT
SCHEMBL7353128 0.83 PKM (0.65) PKMBRD4KCNH2ALDH1A1MAPT
SCHEMBL11797084 0.82 PKM (0.64) PKMBRD4KCNH2ALDH1A1MAPT
SCHEMBL19911377 0.82 PKM (0.64) PKMBRD4KCNH2ALDH1A1MAPT
SCHEMBL2841823 0.81 PKM (1.00) PKMBRD4KCNH2ALDH1A1MAPT
SCHEMBL2074112 0.81 PKM (0.62) PKMBRD4KCNH2ALDH1A1MAPT

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 12 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
US-5270322-A Imidazo[1,2-a]pyridines, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1993-12-14 US 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 PKM 3792/4885BRD4 222/4885KCNH2 198/4885
US-20020072536-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 PKM 3736/4885BRD4 205/4885KCNH2 162/4885
US-20030022927-A1 Novel benzimidazole derivatives OPRL1, OPRD1, OPRM1 PKM 3840/4885BRD4 191/4885KCNH2 218/4885
US-20030181730-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 PKM 3792/4885BRD4 222/4885KCNH2 198/4885

“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.