SCHEMBL2391915

SCHEMBL2391915

c1ccc(NCCc2c[nH]cn2)nc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.66
CYP2C19 P33261 1/20 0.47
APP P05067 4/20 0.46
CXCR4 P61073 1/20 0.45
FABP1 P07148 1/20 0.44
FABP6 P51161 1/20 0.44
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2D6 P10635 1/20 0.39
FDPS P14324 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
Gapromidine SCHEMBL1818477 0.81 CYP1A2 (0.44) CYP1A2CYP2C19APPCXCR4FABP1
SCHEMBL7973029 0.80 ALDH1A1 (0.52) CYP1A2APPHRH3ALDH1A1HPGD
SCHEMBL27513658 0.80 CYP1A2 (1.00) CYP1A2CYP2C19APPCXCR4FABP1
SCHEMBL7971482 0.78 ALDH1A1 (0.41) CYP1A2CYP2C19ALDH1A1KDM4EHPGD
SCHEMBL7430372 0.77 CYP2C19 (0.42) CYP1A2CYP2C19APPCXCR4FABP1
Gapromidine SCHEMBL7430377 0.77 CYP1A2 (0.40) CYP1A2
Hydrochloric Acid SCHEMBL7429034 0.77 CYP2C19 (0.41) CYP1A2CYP2C19APPCXCR4FABP1
Gapromidine SCHEMBL10372400 0.77 CYP1A2 (0.40) CYP1A2HRH3
SCHEMBL7971404 0.76 HRH4 (0.43) CYP1A2HRH3
SCHEMBL3265804 0.75 CYP1A2 (0.70) CYP1A2CYP2C19CXCR4FABP1FABP6

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-RE37303-E1 Imidazole compounds and their therapeutic applications INSTITUT NATIONAL DEL LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2001-07-31 US claimed
EP-0597088-A1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-18 EP claimed
WO-1993014070-A2 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1993-07-22 WO claimed
US-9023818-B2 Pharmaceutical agents containing carbohydrate moieties and methods of their preparation and use GLYCON LLC (US) 2015-05-05 US disclosed
US-20140057869-A9 Novel Pharmaceutical Agents Containing Carbohydrate Moieties And Methods Of Their Preparation And Use IMI INTERNATIONAL MEDICAL INNOVATIONS, INC. 2014-02-27 US disclosed
US-20110237544-A1 Novel Pharmaceutical Agents Containing Carbohydrate Moieties And Methods Of Their Preparation And Use CHRISTIAN SAMUEL T 2011-09-29 US disclosed
US-RE37303-E1 Imidazole compounds and their therapeutic applications INSTITUT NATIONAL DEL LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2001-07-31 US disclosed
EP-0700519-B1 A METHOD OF DETERMINING AFFINITY AND KINETIC PROPERTIES BIACORE AKTIEBOLAG (SE) 2000-10-18 EP disclosed
US-5753518-A Method of determining affinity and kinetic properties PHARMACIA AB (SE) 1998-05-19 US disclosed
US-5559113-A ANTAGONISTS TO HISTAMINE H3 RECEPTORS, SEDATIVES, ANTICONVULSANTS, ANTIULCER AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE 1996-09-24 US disclosed
EP-0700519-A1 A METHOD OF DETERMINING AFFINITY AND KINETIC PROPERTIES Biacore Aktiebolag (SE) 1996-03-13 EP disclosed
WO-1994028416-A1 A METHOD OF DETERMINING AFFINITY AND KINETIC PROPERTIES PHARMACIA BIOSENSOR AB (SE) 1994-12-08 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 (2 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-20110237544-A1 Novel Pharmaceutical Agents Containing Carbohydrate Moieties And Methods Of Their Preparation And Use CSGALNACT1, DDOST, STT3B CYP1A2 2332/4885CYP2C19 844/4885APP 762/4885
US-20140057869-A9 Novel Pharmaceutical Agents Containing Carbohydrate Moieties And Methods Of Their Preparation And Use CSGALNACT1, DDOST, STT3B CYP1A2 2332/4885CYP2C19 844/4885APP 762/4885

“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.