SCHEMBL1306350

SCHEMBL1306350

O=[C]NCCCN1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SIGMAR1 Q99720 3/20 0.40
RAD52 P43351 1/20 0.40
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TP53 P04637 1/20 0.35
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL3955882 0.88 HSD17B10 (0.48) CXCR4SMN1; SMN2POLBHSD17B10SIGMAR1
SCHEMBL1306925 0.82 HRH3 (0.46) SMN1; SMN2HRH3TP53CYP1A2
SCHEMBL1307275 0.80 HRH3 (0.50) SMN1; SMN2POLBHRH3CYP1A2
SCHEMBL3927123 0.80 PAOX (0.44) SMN1; SMN2HSD17B10SIGMAR1KMT2ATP53
SCHEMBL1307433 0.80 SMN1; SMN2 (0.37) SMN1; SMN2POLBHRH3
SCHEMBL3937634 0.78 SLC2A1 (0.40) SMN1; SMN2TP53KDM1A
SCHEMBL3954098 0.78 ALDH1A1 (0.41) SMN1; SMN2SIGMAR1MEN1KMT2AHRH1
SCHEMBL3954996 0.78 USP2 (0.41) SMN1; SMN2SIGMAR1TP53CYP2D6
SCHEMBL3949503 0.78 SMN1; SMN2 (0.40) SMN1; SMN2POLBMEN1KMT2ATP53
SCHEMBL15065607 0.77 CXCR4 (0.54) CXCR4SMN1; SMN2POLBHSD17B10SIGMAR1

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 9 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 claimed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 2010-05-20 US claimed
EP-2142535-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis Ag (CH) 2010-01-13 EP claimed
WO-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 WO claimed
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-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO 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 CXCR4 1400/4885SMN1; SMN2 2884/4885POLB 2640/4885

“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.