SCHEMBL5857033

SCHEMBL5857033

CCNCc1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.44
MEN1 O00255 7/20 0.44
RAB9A P51151 8/20 0.43
NPC1 O15118 6/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 2/20 0.39
CASP3 P42574 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL3945060 1.00 KMT2A (0.44) KMT2AMEN1RAB9ANPC1TP53
SCHEMBL3940422 0.91 KMT2A (0.44) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL5856847 0.91 KMT2A (0.44) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL5857584 0.90 KMT2A (0.44) KMT2AMEN1RAB9ANPC1TP53
SCHEMBL3939666 0.90 KMT2A (0.44) KMT2AMEN1RAB9ANPC1TP53
SCHEMBL3940392 0.89 TP53 (0.34) KMT2AMEN1RAB9ANPC1TP53
SCHEMBL5858202 0.89 TP53 (0.34) KMT2AMEN1RAB9ANPC1TP53
SCHEMBL3932448 0.88 KMT2A (0.38) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL3932454 0.88 KMT2A (0.38) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL3933105 0.87 RAB9A (0.44) KMT2AMEN1RAB9ANPC1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148249-B2 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-12-12 US disclosed
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 US 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-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments CDK1, CDK2, CDK3 KMT2A 1839/4885MEN1 1664/4885RAB9A 3709/4885

“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.