SCHEMBL13047055

SCHEMBL13047055

CC(C)(C)Cn1ccc2c(NC(=O)Cc3cccc4ccccc34)cccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 1/20 0.53
PTGER4 P35408 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPK8 P45983 5/20 0.53
MAPK10 P53779 5/20 0.53
MAPK9 P45984 4/20 0.53
POLB P06746 1/20 0.52
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.46

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
SCHEMBL1591439 0.93 KMT2A (0.52) KMT2AMEN1KDM4EHPGDLMNA
SCHEMBL13047073 0.89 ALDH1A1 (0.46) KDM4EHPGDLMNAPOLBALDH1A1
SCHEMBL13047060 0.89 ALDH1A1 (0.53) KMT2AMEN1KDM4EHPGDLMNA
SCHEMBL13047063 0.88 GRM2 (0.53) KDM4EHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL13047067 0.86 ALDH1A1 (0.58) KDM4EHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL13047128 0.85 POLB (0.56) KMT2AKDM4EHPGDLMNAPOLB
SCHEMBL1590729 0.84 KMT2A (0.52) KMT2AMEN1KDM4EHPGDLMNA
SCHEMBL13047054 0.83 MAPT (0.46) KMT2AMEN1KDM4EHPGDLMNA
SCHEMBL13047117 0.83 TP53 (0.45) KDM4EHPGDSMN1; SMN2MAPK8MAPK9
SCHEMBL13046857 0.83 POLB (0.55) KMT2AMEN1KDM4EHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 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-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 KMT2A 4614/4885MEN1 4853/4885KDM4E 4128/4885

“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.