SCHEMBL6322835

SCHEMBL6322835

CN(C)CC(=O)NCc1cccc(NC(=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SENP5 Q96HI0 5/20 0.40
SENP2 Q9HC62 5/20 0.40
SENP1 Q9P0U3 5/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
EGFR P00533 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
MPI P34949 1/20 0.39
GALK1 P51570 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL6320201 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2SENP5SENP2SENP1
SCHEMBL6318500 0.92 EGFR (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6318492 0.92 EGFR (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6322269 0.89 PDPK1 (0.43) ALDH1A1SMN1; SMN2SENP5SENP2SENP1
SCHEMBL6319709 0.89 PDPK1 (0.43) ALDH1A1SMN1; SMN2SENP5SENP2SENP1
Hydrochloric Acid SCHEMBL6327173 0.89 AKT2 (0.44) ALDH1A1SMN1; SMN2SENP5SENP2SENP1
Hydrochloric Acid SCHEMBL6327176 0.89 AKT2 (0.44) ALDH1A1SMN1; SMN2SENP5SENP2SENP1
SCHEMBL6320720 0.88 EGFR (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6320290 0.88 EGFR (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6320358 0.87 EGFR (0.44) ALDH1A1MEN1KMT2ANPC1RAB9A

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 ALDH1A1 1810/4885SMN1; SMN2 4425/4885SENP5 2893/4885

“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.