SCHEMBL1591391

SCHEMBL1591391

CC(C)(O)Cn1ccc2c(NC(=O)c3ccc4c(c3)OCCCO4)cccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.49
NPC1 O15118 8/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 7/20 0.48
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 4/20 0.48
TSHR P16473 4/20 0.48
BRCA1 P38398 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
POLB P06746 3/20 0.47
KDM4E B2RXH2 5/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 4/20 0.44
PTGS2 P35354 1/20 0.43
NR5A1 Q13285 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL13047116 0.94 RAB9A (0.50) RAB9ANPC1TDP1KMT2AALDH1A1
SCHEMBL13047239 0.85 RAB9A (0.54) RAB9ANPC1TDP1KMT2AALDH1A1
SCHEMBL1590435 0.85 RAB9A (0.49) RAB9ANPC1TDP1KMT2AALDH1A1
SCHEMBL13046883 0.85 RAB9A (0.48) RAB9ANPC1TDP1KMT2AALDH1A1
SCHEMBL13047185 0.84 RAB9A (0.55) RAB9ANPC1TDP1KMT2AALDH1A1
SCHEMBL13046985 0.83 ALDH1A1 (0.50) RAB9ANPC1TDP1KMT2AALDH1A1
SCHEMBL1590404 0.82 RAB9A (0.46) RAB9ANPC1TDP1KMT2AALDH1A1
SCHEMBL13046803 0.82 RAB9A (0.46) RAB9ANPC1TDP1KMT2AALDH1A1
SCHEMBL13047711 0.82 RAB9A (0.46) RAB9ANPC1TDP1KMT2AALDH1A1
SCHEMBL1590543 0.81 NPC1 (0.48) RAB9ANPC1KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US claimed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US claimed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 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 (2 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-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 RAB9A 3422/4885NPC1 2233/4885TDP1 2440/4885
US-20110092476-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.