SCHEMBL16056911

SCHEMBL16056911

Cc1c(-c2ccc(I)cc2)ccnc1OC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.35
▸ KDM5A P29375 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.31
▸ TOP2A P11388 2/20 0.31
▸ TPMT P51580 1/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ DHODH Q02127 1/20 0.30
▸ CCNC P24863 1/20 0.30
▸ CDK8 P49336 1/20 0.30
▸ EPHX1 P07099 1/20 0.30

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
SCHEMBL16057423 0.87 CCNC (0.39) ACACBMEN1ALDH1A1KMT2ACCNC
SCHEMBL14975894 0.87 PORCN (0.40) KDM5AKDM4CKDM5BTOP2AMEN1
SCHEMBL16057947 0.83 SLC22A12 (0.39) ACACBKDM5AKDM4CKDM5BFFAR4
SCHEMBL16056981 0.83 SLC6A7 (0.41) KDM5AKDM4CKDM5BMKNK1MKNK2
SCHEMBL16057936 0.83 KIF11 (0.40) KDM5AKDM4CKDM5BFFAR4TOP2A
SCHEMBL16057040 0.82 RAB9A (0.44) MKNK1MKNK2MEN1ALDH1A1KMT2A
SCHEMBL16058685 0.81 LMNA (0.39) MEN1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16058150 0.81 PDE10A (0.40) ACACBALDH1A1KMT2AL3MBTL1
SCHEMBL16058822 0.81 DHODH (0.47) ALDH1A1L3MBTL1DHODH
SCHEMBL16057745 0.80 CYP2D6 (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A

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 ACACB 148/4885KDM5A 2208/4885KDM4C 2838/4885

“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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