SCHEMBL16057948

SCHEMBL16057948

O=C(OCCc1ccccc1)n1ccccc1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.50
HCAR2 Q8TDS4 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
AKR1B10 O60218 2/20 0.44
AKR1B1 P15121 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL14977359 0.88 LMNA (0.48) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL16056805 0.79 CTRB1 (0.45) P2RX4TDP1NPC1RAB9AL3MBTL1
SCHEMBL28439670 0.78 BCHE (0.47) RAB9AL3MBTL1ALDH1A1GLAHPGD
SCHEMBL16057648 0.77 MEN1 (0.47) NPC1CYP3A4TSHRLMNAHTR2A
SCHEMBL16057307 0.77 NAAA (0.41) P2RX4TDP1NPC1RAB9AL3MBTL1
SCHEMBL14977311 0.76 LMNA (0.53) TDP1MMP1MMP9MMP12NPC1
SCHEMBL14977017 0.76 NPC1 (0.46) P2RX4MMP1MMP9MMP12NPC1
SCHEMBL14975141 0.76 LMNA (0.53) TDP1MMP1MMP9MMP12NPC1
SCHEMBL7162470 0.76 RAB9A (0.50) P2RX4HCAR2ESR1ESR2TDP1
SCHEMBL16058318 0.76 LMNA (0.53) TDP1MMP1MMP9MMP12NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828338-B2 Carbamate derivatives of lactam based N-acylethanolamine acid amidase (NAAA) inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-28 US disclosed
US-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-10 US disclosed
WO-2014144836-A2 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-18 WO 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-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS NAAA, FAAH, FAAH2 P2RX4 1764/4885HCAR2 294/4885ESR1 1368/4885

“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.