SCHEMBL6320456

SCHEMBL6320456

CCOC(=O)CN(c1ccc(N/C(=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc2)cc1)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 7/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
LMNA P02545 2/20 0.39
GSK3B P49841 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.38
EGFR P00533 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL6320458 1.00 MEN1 (0.44) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL6317615 0.92 KMT2A (0.46) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL6317611 0.92 KMT2A (0.46) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL6318639 0.91 KMT2A (0.48) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL6318498 0.91 KMT2A (0.48) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL7020101 0.89 KMT2A (0.50) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL7020104 0.89 KMT2A (0.50) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL6320294 0.88 MEN1 (0.43) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL6320286 0.88 MEN1 (0.43) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL7089165 0.88 NPC1 (0.38) MEN1KMT2AMAPTALDH1A1LMNA

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 3 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

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 MEN1 3345/4885KMT2A 750/4885KDM4E 710/4885

“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.