SCHEMBL1307205

SCHEMBL1307205

NCCN1CCN(CCN2CCOCC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
ALOX15 P16050 1/20 0.68
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 1/20 0.56
GLA P06280 1/20 0.45
ACE2 Q9BYF1 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
DUSP3 P51452 1/20 0.41
GAA P10253 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL9444 0.97
SCHEMBL10917755 0.95 KEAP1 (0.70) KEAP1SMN1; SMN2ALOX15KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8859956 0.95 KEAP1 (0.70) KEAP1SMN1; SMN2ALOX15KDM4EALDH1A1
SCHEMBL27350451 0.95 KEAP1 (0.70) KEAP1SMN1; SMN2ALOX15KDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL726007 0.95 KEAP1 (0.70) KEAP1SMN1; SMN2ALOX15KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1168021 0.95 KEAP1 (0.70) KEAP1SMN1; SMN2ALOX15KDM4EALDH1A1
Ethylamine SCHEMBL4594605 0.90 SMN1; SMN2 (0.64) KEAP1SMN1; SMN2ALOX15KDM4EALDH1A1
SCHEMBL8355842 0.88 KEAP1 (0.91) KEAP1SMN1; SMN2ALOX15KDM4EALDH1A1
SCHEMBL1685458 0.88 KEAP1 (0.61) KEAP1SMN1; SMN2ALOX15KDM4EALDH1A1
SCHEMBL2244319 0.88 SMN1; SMN2 (0.61) KEAP1SMN1; SMN2ALOX15KDM4EALDH1A1

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 6 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-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
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 KEAP1 1732/4885SMN1; SMN2 2884/4885ALOX15 3177/4885

“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.