SCHEMBL1306972

SCHEMBL1306972

N#CCN1CCN(CCN2CCOCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 2/20 0.56
PKM P14618 1/20 0.46
KEAP1 Q14145 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
POLB P06746 2/20 0.41
GLA P06280 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL64383 0.93
Methane SCHEMBL2772452 0.91 ALDH1A1 (0.43) ALDH1A1KDM4EKEAP1SMN1; SMN2HSD17B10
SCHEMBL11501758 0.88 ALDH1A1 (0.57) ALDH1A1KDM4EPKMSMN1; SMN2GAA
SCHEMBL2249699 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EKEAP1SMN1; SMN2HSD17B10
SCHEMBL1306258 0.81 POLB (0.56) ALDH1A1PKMSMN1; SMN2GAAHTT
SCHEMBL10913328 0.80 KDM4E (0.70) ALDH1A1KDM4EKEAP1SMN1; SMN2HSD17B10
SCHEMBL2576487 0.80 ALDH1A1 (0.50) ALDH1A1PKMSMN1; SMN2HTTPOLB
SCHEMBL7137154 0.80 ALDH1A1 (0.50) ALDH1A1PKMSMN1; SMN2HTTPOLB
SCHEMBL11856358 0.80 KDM4E (0.70) ALDH1A1KDM4EKEAP1SMN1; SMN2HSD17B10
SCHEMBL11701515 0.80

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 ALDH1A1 2589/4885KDM4E 920/4885PKM 1672/4885

“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.