SCHEMBL1306979

SCHEMBL1306979

COC(=O)c1[nH]c2cc(C#N)ccc2c1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.50
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43

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
SCHEMBL30180875 0.86 ALOX15 (0.69) ALOX15ALDH1A1KDM4EGAAMAPT
SCHEMBL21822329 0.86 ALOX15 (0.69) ALOX15ALDH1A1KDM4EGAAMAPT
SCHEMBL25207025 0.84 ALOX15 (0.57) ALOX15ALDH1A1HSD17B10KDM4EUSP2
SCHEMBL21822535 0.84 PIN1 (0.46) ALOX15PIN1ALK
SCHEMBL21822276 0.83 ALDH1A1 (0.46) ALOX15ALDH1A1HSD17B10KDM4EUSP2
SCHEMBL22346720 0.80 ALOX15 (0.53) ALOX15ALDH1A1HSD17B10KDM4EUSP2
SCHEMBL29955715 0.80 ALOX15 (0.74) ALOX15ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL4877545 0.80 KDM4E (0.67) ALOX15ALDH1A1HSD17B10KDM4EUSP2
SCHEMBL25206647 0.78 ALOX15 (0.51) ALOX15ALDH1A1HSD17B10KDM4EUSP2
SCHEMBL2800262 0.76 KDM4E (0.57) ALOX15ALDH1A1HSD17B10KDM4EGAA

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 ALOX15 3177/4885ALDH1A1 2589/4885HSD17B10 3472/4885

“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.