SCHEMBL115357

SCHEMBL115357

CCn1cc2c(O)c(-c3ccccc3C)c(=O)n(C)c2n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
TACR1 P25103 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 5/20 0.36
GAA P10253 2/20 0.36
TP53 P04637 1/20 0.36
RCE1 Q9Y256 1/20 0.36
TDP2 O95551 1/20 0.35
CASR P41180 1/20 0.35
KCNA3 P22001 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL115139 0.89 KDM4E (0.42) BRD4SMN1; SMN2LMNAKDM4EGAA
SCHEMBL115214 0.85 BRD4 (0.42) BRD4TACR1SMN1; SMN2LMNAKMT2A
SCHEMBL115298 0.83 METAP2 (0.35) BRD4SMN1; SMN2KDM4EGAATP53
SCHEMBL115266 0.83 METAP2 (0.35) BRD4SMN1; SMN2LMNAKDM4EGAA
SCHEMBL115176 0.79 KDM4E (0.42) BRD4TACR1SMN1; SMN2LMNAKMT2A
SCHEMBL116175 0.71 HEXA (0.40) BRD4TACR1KMT2AKDM4ETDP2
SCHEMBL11965004 0.71 PDE4A (0.41) BRD4SMN1; SMN2LMNAKDM4EGAA
SCHEMBL115197 0.71 BRD4 (0.38) BRD4TACR1SMN1; SMN2LMNAKMT2A
SCHEMBL113860 0.71 BRD4 (0.38) BRD4TACR1SMN1; SMN2LMNAKMT2A
SCHEMBL115231 0.71 F7 (0.44) BRD4TACR1SMN1; SMN2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES BAYER CROPSCIENCE AG (DE) 2012-03-08 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-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES KHK, KCNA1, KCNA2 BRD4 3524/4885TACR1 2682/4885SMN1; SMN2 4450/4885

“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.