SCHEMBL1362018

SCHEMBL1362018

CCNC1CCCCC1.CNC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
DPP7 Q9UHL4 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SHBG P04278 1/20 0.36
EPHX1 P07099 2/20 0.35
PABPC1 P11940 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL22416728 0.90 KDM4E (0.48) KDM4EKCNH2ALDH1A1HSD17B10DPP7
SCHEMBL1485686 0.90 KDM4E (0.48) KDM4EKCNH2ALDH1A1HSD17B10DPP7
SCHEMBL24728 0.90
SCHEMBL22316957 0.90 KDM4E (0.48) KDM4EKCNH2ALDH1A1HSD17B10DPP7
SCHEMBL22790769 0.90 KDM4E (0.48) KDM4EKCNH2ALDH1A1HSD17B10DPP7
SCHEMBL1037554 0.90 KDM4E (0.48) KDM4EKCNH2ALDH1A1HSD17B10DPP7
SCHEMBL11573949 0.90 KDM4E (0.48) KDM4EKCNH2ALDH1A1HSD17B10DPP7
SCHEMBL23119845 0.87 KCNH2 (0.44) KCNH2
SCHEMBL14371896 0.87 KCNH2 (0.44) KCNH2
Fluoride SCHEMBL9620604 0.87 KDM4E (0.46) KDM4EKCNH2ALDH1A1HSD17B10DPP7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426607-B2 Substituted amino-benzimidazoles, medicaments comprimising said compound, their use and their method of manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-23 US disclosed
US-20110288139-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRIMISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 US disclosed
EP-2245016-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE Boehringer Ingelheim International GmbH (DE) 2010-11-03 EP disclosed
WO-2009092566-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-30 WO disclosed
US-3947463-A Certain 2-amino-nicotinonitrile derivatives CASSELLA FARBWERKE MAINKUR AG (DT) 1976-03-30 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 (1 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-20110288139-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRIMISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE PSEN1, AADAT, PSEN2 KDM4E 532/4885KCNH2 3970/4885ALDH1A1 735/4885

“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.