SCHEMBL13047451

SCHEMBL13047451

CC(C)(C)Cn1ccc2c(NC(=O)c3ccc(C(C)(C)C)cc3)cccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
PABPC1 P11940 1/20 0.52
EIF4H Q15056 1/20 0.52
DHPS P49366 3/20 0.50
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NR1H4 Q96RI1 5/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
PARP1 P09874 3/20 0.43

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
SCHEMBL13047449 0.86 RAB9A (0.49) RAB9AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13047140 0.86 TP53 (0.40) RAB9AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL1590924 0.86 RAB9A (0.50) RAB9AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13047524 0.86 TP53 (0.52) RAB9AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13047059 0.85 NPC1 (0.49) RAB9AMEN1KMT2AKDM4ENPC1
SCHEMBL13046850 0.85 RAB9A (0.49) RAB9AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13047049 0.84 KMT2A (0.52) RAB9AMEN1KMT2APOLBNPC1
SCHEMBL13047125 0.84 MEN1 (0.42) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL13046666 0.83 TAS1R3 (0.46) KMT2ASMN1; SMN2POLBALDH1A1PARP1
SCHEMBL13047109 0.83 NPC1 (0.47) RAB9AMEN1KMT2ASMN1; SMN2POLB

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 RAB9A 3422/4885MEN1 4853/4885KMT2A 4614/4885

“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.