SCHEMBL6322864

SCHEMBL6322864

CN(C)Cc1ccc(NC(=C2C(=O)Nc3ccccc32)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
APP P05067 4/20 0.40
SNCA P37840 4/20 0.40
TTR P02766 1/20 0.40
LRRK2 Q5S007 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
LMNA P02545 1/20 0.39
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ACHE P22303 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
PSMB5 P28074 1/20 0.38

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
SCHEMBL6322863 1.00 MAPT (0.40) MAPTAPPSNCATTRLRRK2
SCHEMBL6325927 0.90 EGFR (0.47) MAPTLMNAKDM4EALDH1A1MEN1
SCHEMBL6325929 0.90 EGFR (0.47) MAPTLMNAKDM4EALDH1A1MEN1
SCHEMBL6320531 0.89 EGFR (0.45) MAPTABCG2LMNACRHBPCRHR2
SCHEMBL6320536 0.89 EGFR (0.45) MAPTABCG2LMNACRHBPCRHR2
SCHEMBL6323528 0.88 IDO1 (0.40) MAPTLRRK2ALDH1A1ACHE
SCHEMBL30979384 0.88 IDO1 (0.40) MAPTLRRK2ALDH1A1ACHE
SCHEMBL6323531 0.88 IDO1 (0.40) MAPTLRRK2ALDH1A1ACHE
SCHEMBL3934624 0.87 HDAC3 (0.37) MAPTLMNACRHBPCRHR2ALDH1A1
SCHEMBL4486253 0.87 ALDH1A1 (0.41) MAPTLMNACRHBPCRHR2KDM4E

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 MAPT 3817/4885APP 4718/4885SNCA 4797/4885

“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.