SCHEMBL6327481

SCHEMBL6327481

CN(C)CCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.53
CA1 P00915 4/20 0.53
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
CA12 O43570 3/20 0.49
CA9 Q16790 3/20 0.49
CA4 P22748 2/20 0.49
CA7 P43166 2/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FKBP1A P62942 1/20 0.44
GAA P10253 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
SCHEMBL11183908 0.80 CA2 (0.59) CA2CA1HTTCA12CA9
SCHEMBL6323628 0.78 THRA (0.48) CA2CA1HTTCA12CA9
SCHEMBL3575305 0.78 CA1 (0.53) CA2CA1POLBHTTCA12
SCHEMBL5355083 0.77 CA2 (0.54) CA2CA1CA12CA9CA4
SCHEMBL11033751 0.76 CA2 (0.61) CA2CA1POLBHTTCA12
SCHEMBL3158659 0.74 HTT (0.64) POLBHTTMAPTALDH1A1RECQL
SCHEMBL27033424 0.74 KCNH2 (0.46) CA2CA1POLBHTTCA12
SCHEMBL15778549 0.74 THRA (0.58) CA2CA1POLBHTTCA12
SCHEMBL6328229 0.74 MAPT (0.49) CA2CA1POLBHTTCA12
SCHEMBL1916448 0.73 CA2 (0.67) CA2CA1HTTCA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP disclosed
EP-1115704-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-07-18 EP disclosed
WO-2000018734-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-06 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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 CA2 2165/4885CA1 3035/4885POLB 1921/4885

“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.