SCHEMBL13047144

SCHEMBL13047144

CCOc1ccc(C(=O)Nc2cccc3c(=O)n(C)ccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
NPC1 O15118 6/20 0.54
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 2/20 0.54
POLB P06746 2/20 0.53
HPGD P15428 1/20 0.53
CYP1A2 P05177 2/20 0.52
GAA P10253 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 5/20 0.49
LMNA P02545 4/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 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
SCHEMBL19276596 0.87 NPC1 (0.63) RAB9ANPC1KMT2ASMN1; SMN2POLB
SCHEMBL13047511 0.86 TP53 (0.53) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL13046848 0.84 RAB9A (0.47) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL20942524 0.84 MAPT (0.58) RAB9ANPC1KMT2ASMN1; SMN2POLB
SCHEMBL13047449 0.84 RAB9A (0.49) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL1590703 0.83 P2RX7 (0.53) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL1590522 0.83 RAB9A (0.48) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL13046938 0.81 CACNA1B (0.52) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL13047481 0.81 NPC1 (0.51) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL13047966 0.81 HSD17B13 (0.49) RAB9ANPC1KMT2ASMN1; SMN2MEN1

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 3422/4885NPC1 2233/4885KMT2A 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.