SCHEMBL6319634

SCHEMBL6319634

CC(=O)NCCc1ccc(NC(=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 3/20 0.44
MAOA P21397 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
MAOB P27338 1/20 0.44
HTT P42858 1/20 0.44
EGFR P00533 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CNR1 P21554 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
KDM1A O60341 1/20 0.41
THRB P10828 1/20 0.40
ALOX12 P18054 1/20 0.40
CA12 O43570 2/20 0.40

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
SCHEMBL6319627 1.00 KMT2A (0.46) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6328248 0.91 PDPK1 (0.45) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6328256 0.91 PDPK1 (0.45) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6327270 0.90 KMT2A (0.46) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6327268 0.90 KMT2A (0.46) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6326470 0.89 KMT2A (0.44) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6326461 0.89 KMT2A (0.44) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6320283 0.89 NAMPT (0.43) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6321081 0.88 EGFR (0.49) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6321088 0.88 EGFR (0.49) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1

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 KMT2A 750/4885MEN1 3345/4885MAPT 3817/4885

“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.