SCHEMBL6328670

SCHEMBL6328670

O=C(O)CCNCc1cccc(N/C(=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
MPI P34949 1/20 0.40
GALK1 P51570 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
CASP3 P42574 2/20 0.38
CAPN9 O14815 1/20 0.38
TGM2 P21980 1/20 0.37
GAA P10253 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
SCHEMBL6328675 1.00 EGFR (0.41) EGFRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6319040 0.92 EGFR (0.42) EGFRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6319039 0.92 EGFR (0.42) EGFRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6322145 0.91 EGFR (0.38) EGFRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6322134 0.91 EGFR (0.38) EGFRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6320568 0.90 MEN1 (0.40) EGFRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6320575 0.90 MEN1 (0.40) EGFRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6319709 0.86 PDPK1 (0.43) EGFRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6322269 0.86 PDPK1 (0.43) EGFRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6320930 0.85 MEN1 (0.41) EGFRALDH1A1SMN1; SMN2MEN1KMT2A

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 EGFR 152/4885ALDH1A1 1810/4885SMN1; SMN2 4425/4885

“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.