SCHEMBL16056843

SCHEMBL16056843

CCCCc1c(-c2cccnc2)ccnc1OC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.44
▸ CYP2C19 P33261 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ LMNA P02545 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NFKB1 P19838 2/20 0.40
▸ NFKB2 Q00653 2/20 0.40
▸ RELA Q04206 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ FAAH O00519 2/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL16058089 0.82 RARB (0.39) CYP3A4LMNACYP1A2TSHRKMT2A
SCHEMBL16057846 0.81 CCNB2 (0.45) CYP3A4CYP2D6CYP1A2KMT2AKDM4E
SCHEMBL16057906 0.81 KDM5A (0.38) CYP3A4LMNACYP1A2TSHRKMT2A
SCHEMBL16057516 0.80 TOP2A (0.42) KMT2AKDM4EMAPTMEN1
SCHEMBL16058925 0.80 CYP1A2 (0.40) CYP2C9CYP2C19CYP2D6CYP19A1LMNA
SCHEMBL16058416 0.77 MKNK1 (0.48) CYP2C9CYP2C19CYP3A4CYP2D6CYP19A1
SCHEMBL16057060 0.73 RARB (0.46) CYP3A4LMNACYP1A2TSHRKMT2A
SCHEMBL16057557 0.71 CYP3A4 (0.47) CYP2C9CYP2C19CYP3A4CYP2D6CYP19A1
SCHEMBL5156401 0.70 MKNK1 (0.45) CYP2C9CYP2C19CYP3A4CYP1A2TSHR
SCHEMBL947436 0.70 MKNK1 (0.45) CYP2C19CYP3A4LMNACYP1A2KMT2A

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 CYP2C9 1191/4885CYP2C19 1292/4885CYP3A4 1429/4885

“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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