SCHEMBL16632604

SCHEMBL16632604

N#Cc1ccc2c(Oc3ccccc3OCCn3ccc(=O)[nH]c3=O)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
DUT P33316 5/20 0.36
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EIF4EBP1 Q13541 3/20 0.34
MAPT P10636 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
ENPP3 O14638 1/20 0.34
ICMT O60725 1/20 0.34
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL16634453 0.92 L3MBTL1 (0.39) L3MBTL1CA1CA2DUTEIF4EBP1
SCHEMBL16632282 0.91 L3MBTL1 (0.47) L3MBTL1CA1CA2EIF4EBP1ICMT
SCHEMBL16644711 0.91 L3MBTL1 (0.39) L3MBTL1DUTEIF4EBP1ICMT
SCHEMBL16632484 0.90 L3MBTL1 (0.40) L3MBTL1DUTTSHRNPSR1MAPT
SCHEMBL16632420 0.89 L3MBTL1 (0.47) L3MBTL1CA1CA2DUTTSHR
SCHEMBL16632594 0.85 L3MBTL1 (0.48) L3MBTL1DUTMAPTALDH1A1
SCHEMBL16632486 0.85 L3MBTL1 (0.53) L3MBTL1DUTEIF4EBP1
SCHEMBL16632625 0.85 L3MBTL1 (0.42) L3MBTL1DUTTSHR
SCHEMBL16632610 0.84 L3MBTL1 (0.40) L3MBTL1DUTEIF4EBP1MAPTALDH1A1
SCHEMBL14871891 0.81 L3MBTL1 (0.48) L3MBTL1DUTTSHREIF4EBP1FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 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 (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-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR L3MBTL1 879/4885CA1 4637/4885CA2 2940/4885

“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.