SCHEMBL5857877

SCHEMBL5857877

CN(C(=O)C(C)(C)N)c1ccc(N/C(=C2\C(=O)Nc3cc([N+](=O)[O-])ccc32)c2ccc3c(c2)OOC3)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MCL1 Q07820 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CASP3 P42574 2/20 0.32
CASP2 P42575 1/20 0.32
CASP7 P55210 1/20 0.32
CASP6 P55212 1/20 0.32
CASP8 Q14790 1/20 0.32
P2RX5 Q93086 1/20 0.31

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
SCHEMBL5857845 0.93 CA12 (0.32) CA12CA1CA2CA9MAPT
SCHEMBL5858412 0.89 MITF (0.31) MAPTMCL1
SCHEMBL5858056 0.88 BACE1 (0.34) MAPTSMN1; SMN2
SCHEMBL5858204 0.87 POLB (0.33) CA12CA1CA2CA9MAPT
SCHEMBL5859232 0.86 NAMPT (0.31)
SCHEMBL5858270 0.85 RXFP1 (0.37) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5858197 0.84 AAK1 (0.39) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL5859382 0.81 NOTUM (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL4476546 0.81 CASP3 (0.37) CA12CA1CA2CA9MAPT
SCHEMBL5856870 0.81 POLB (0.32) CA12CA1CA2CA9MAPT

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 CA12 4563/4885CA1 4053/4885CA2 2157/4885

“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.