SCHEMBL1307367

SCHEMBL1307367

O=C1CN(Cc2cccnc2)CCN1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.58
CHRNA4 P43681 1/20 0.58
COMT P21964 1/20 0.51
PTGER2 P43116 1/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
CLPP Q16740 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 1/20 0.47
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
TRPV6 Q9H1D0 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 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
SCHEMBL220097 0.83 SIGMAR1 (0.62) ALDH1A1TDP1SMN1; SMN2
SCHEMBL31256877 0.83 CHRNB2 (0.72) CHRNB2CHRNA4ALDH1A1KDM4EOPRM1
SCHEMBL209069 0.83 CHRNB2 (0.72) CHRNB2CHRNA4ALDH1A1KDM4EOPRM1
Hydrochloric Acid SCHEMBL1028332 0.81 CHRNB2 (0.70) CHRNB2CHRNA4ALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL4471980 0.81 CHRNB2 (0.70) CHRNB2CHRNA4ALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL27844692 0.81 CHRNB2 (0.70) CHRNB2CHRNA4ALDH1A1KDM4ETDP1
SCHEMBL18291554 0.80 GRM5 (0.47) PRMT5WDR77
SCHEMBL9678558 0.78 POLB (0.56) CHRNB2CHRNA4ALDH1A1KDM4ETDP1
SCHEMBL13843567 0.78 CHRNB2 (0.73) CHRNB2CHRNA4ALDH1A1KDM4ETDP1
SCHEMBL1126144 0.77 CDK4 (0.43) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 2010-05-20 US disclosed
EP-2142535-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis Ag (CH) 2010-01-13 EP disclosed
WO-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 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 (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-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases MDM4, TP53, MDM2 CHRNB2 4510/4885CHRNA4 3595/4885COMT 1669/4885

“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.