SCHEMBL13047060

SCHEMBL13047060

CC(C)(C)Cn1ccc2c(NC(=O)Cc3ccccc3F)cccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 2/20 0.53
TP53 P04637 2/20 0.48
LMNA P02545 4/20 0.48
RAB9A P51151 1/20 0.48
PARP14 Q460N5 1/20 0.47
KMT2A Q03164 4/20 0.47
P2RX7 Q99572 1/20 0.47
ELOVL1 Q9BW60 1/20 0.47
MEN1 O00255 2/20 0.44
ECE1 P42892 1/20 0.43
GRM2 Q14416 1/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL1591288 0.94 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDTP53LMNA
SCHEMBL13047073 0.89 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTP53LMNA
SCHEMBL13047055 0.89 KMT2A (0.53) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL13047063 0.88 GRM2 (0.53) ALDH1A1KDM4EHPGDTP53LMNA
SCHEMBL13047067 0.86 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDTP53LMNA
SCHEMBL1590422 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDTP53LMNA
SCHEMBL13047128 0.85 POLB (0.56) ALDH1A1KDM4EHPGDTP53LMNA
SCHEMBL13047545 0.84 TP53 (0.68) ALDH1A1KDM4EHPGDTP53LMNA
SCHEMBL13046860 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDTP53LMNA
SCHEMBL13047157 0.84 LMNA (0.52) ALDH1A1KDM4EHPGDTP53LMNA

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 ALDH1A1 3640/4885KDM4E 4128/4885HPGD 368/4885

“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.