SCHEMBL13047239

SCHEMBL13047239

COCCn1ccc2c(NC(=O)c3ccc4c(c3)OCCCO4)cccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.54
NPC1 O15118 8/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 3/20 0.48
POLB P06746 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 2/20 0.48
TSHR P16473 2/20 0.48
BRCA1 P38398 1/20 0.48
NR5A1 Q13285 2/20 0.46
RORA P35398 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
PKM P14618 1/20 0.44
PTGS2 P35354 1/20 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
SCHEMBL13046883 0.88 RAB9A (0.48) RAB9ANPC1TDP1ALDH1A1KMT2A
SCHEMBL13046985 0.86 ALDH1A1 (0.50) RAB9ANPC1TDP1ALDH1A1KMT2A
SCHEMBL13047116 0.86 RAB9A (0.50) RAB9ANPC1TDP1ALDH1A1KMT2A
SCHEMBL13047185 0.86 RAB9A (0.55) RAB9ANPC1TDP1ALDH1A1KMT2A
SCHEMBL1590435 0.85 RAB9A (0.49) RAB9ANPC1TDP1ALDH1A1KMT2A
SCHEMBL1591391 0.85 RAB9A (0.49) RAB9ANPC1TDP1ALDH1A1KMT2A
SCHEMBL13047711 0.84 RAB9A (0.46) RAB9ANPC1TDP1ALDH1A1KMT2A
SCHEMBL1590404 0.82 RAB9A (0.46) RAB9ANPC1TDP1ALDH1A1KMT2A
SCHEMBL13046803 0.82 RAB9A (0.46) RAB9ANPC1TDP1ALDH1A1KMT2A
SCHEMBL19276926 0.81 RAB9A (0.58) RAB9ANPC1TDP1ALDH1A1KMT2A

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 2233/4885TDP1 2440/4885

“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.