SCHEMBL6320328

SCHEMBL6320328

O=C1Nc2ccccc2/C1=C(/Nc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
MITF O75030 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 7/20 0.48
APP P05067 4/20 0.48
SNCA P37840 4/20 0.48
TTR P02766 1/20 0.48
LRRK2 Q5S007 1/20 0.48
PKM P14618 1/20 0.43
PAX8 Q06710 1/20 0.43
INSR P06213 1/20 0.42
KDR P35968 1/20 0.42
EGFR P00533 1/20 0.42
PSMB5 P28074 1/20 0.42
ALOX12 P18054 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL6320334 1.00 MEN1 (0.51) MEN1KMT2ANPC1RAB9AMITF
SCHEMBL6319460 0.91 EGFR (0.54) MEN1KMT2ANPC1RAB9AMITF
SCHEMBL6319442 0.91 EGFR (0.54) MEN1KMT2ANPC1RAB9AMITF
SCHEMBL6327320 0.87 KMT2A (0.49) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL6327321 0.87 KMT2A (0.49) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL29642973 0.87 EGFR (0.55) MEN1KMT2ANPC1RAB9AMITF
SCHEMBL28414296 0.87 EGFR (0.55) MEN1KMT2ANPC1RAB9AMITF
SCHEMBL4482735 0.87 MEN1 (0.45) MEN1KMT2ANPC1RAB9AMITF
SCHEMBL4482721 0.87 MEN1 (0.45) MEN1KMT2ANPC1RAB9AMITF
SCHEMBL6320376 0.86 KDR (0.48) MEN1KMT2AMAPTLRRK2PKM

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 750/4885NPC1 4477/4885

“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.