SCHEMBL16058378

SCHEMBL16058378

Cc1c(-c2ccc(-c3ccncc3)cc2)ccn(C(=O)O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 2/20 0.38
▸ CDK8 P49336 2/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ PARP11 Q9NR21 1/20 0.38
▸ HTT P42858 1/20 0.36
▸ COMT P21964 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ GABRA1 P14867 2/20 0.35
▸ GABRG2 P18507 2/20 0.35
▸ GABRB3 P28472 2/20 0.35
▸ GABRA3 P34903 2/20 0.35
▸ GABRA2 P47869 2/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ CSNK1A1 P48729 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ CSNK1G1 Q9HCP0 1/20 0.35

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
SCHEMBL14975270 0.86 KDM4E (0.39) PARP10PARP11GABRA1GABRG2GABRB3
SCHEMBL16057641 0.85 MKNK1 (0.48) PARP10PARP11CYP11B1CYP11B2GABRA1
SCHEMBL14977095 0.82 GPR35 (0.42) —
SCHEMBL16057309 0.77 MCL1 (0.40) —
SCHEMBL14975255 0.77 COMT (0.42) COMT
SCHEMBL16058496 0.76 HDAC4 (0.39) —
SCHEMBL16057190 0.75 LDHA (0.43) —
SCHEMBL16057334 0.74 L3MBTL1 (0.42) TSHR
SCHEMBL16056814 0.73 SMN1; SMN2 (0.41) —
SCHEMBL16056811 0.73 HPGD (0.50) TSHR

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 CCNC 3386/4885CDK8 1112/4885PARP10 754/4885

“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.

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