SCHEMBL6318586

SCHEMBL6318586

CC(=O)Nc1cccc(N/C(=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
EGFR P00533 1/20 0.47
ABCG2 Q9UNQ0 2/20 0.46
HTT P42858 1/20 0.45
ABCB1 P08183 1/20 0.44
CASP3 P42574 2/20 0.44
CAPN9 O14815 1/20 0.44
TGM2 P21980 1/20 0.42
POLB P06746 3/20 0.41
GSK3B P49841 2/20 0.41
MAPT P10636 2/20 0.41
BLM P54132 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL6318621 1.00 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AEGFRABCG2
SCHEMBL6321081 0.94 EGFR (0.49) SMN1; SMN2MEN1KMT2AEGFRCASP3
SCHEMBL6321088 0.94 EGFR (0.49) SMN1; SMN2MEN1KMT2AEGFRCASP3
SCHEMBL29642973 0.90 EGFR (0.55) MEN1KMT2AEGFRCASP3CAPN9
SCHEMBL28414296 0.90 EGFR (0.55) MEN1KMT2AEGFRCASP3CAPN9
SCHEMBL6322269 0.88 PDPK1 (0.43) SMN1; SMN2MEN1KMT2AEGFRHTT
SCHEMBL6319709 0.88 PDPK1 (0.43) SMN1; SMN2MEN1KMT2AEGFRHTT
SCHEMBL6319460 0.87 EGFR (0.54) MEN1KMT2AEGFRCASP3CAPN9
SCHEMBL6319442 0.87 EGFR (0.54) MEN1KMT2AEGFRCASP3CAPN9
SCHEMBL8010843 0.86 ABCG2 (0.43) SMN1; SMN2MEN1KMT2AEGFRABCG2

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-20050136205-A1 Thermoplastic multilayer composite EMS-CHEMIE AG (CH) 2005-06-23 US claimed
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 SMN1; SMN2 4425/4885MEN1 3345/4885KMT2A 750/4885

“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.