SCHEMBL16632420

SCHEMBL16632420

N#Cc1ccc2c(Oc3ccccc3OCCn3ccc(=O)[nH]c3=O)cc(Cl)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
EIF4EBP1 Q13541 2/20 0.36
DUT P33316 5/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MAPT P10636 1/20 0.32
IDH1 O75874 1/20 0.32
ICMT O60725 2/20 0.32
CCNE2 O96020 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
AR P10275 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL16632412 0.93 L3MBTL1 (0.49) L3MBTL1EIF4EBP1IDH1ICMTCCNE2
SCHEMBL16632595 0.91 L3MBTL1 (0.44) L3MBTL1EIF4EBP1DUTIDH1
SCHEMBL16632484 0.90 L3MBTL1 (0.40) L3MBTL1DUTMAPTTSHRNPSR1
SCHEMBL16632698 0.90 L3MBTL1 (0.53) L3MBTL1EIF4EBP1DUT
SCHEMBL16632604 0.89 L3MBTL1 (0.42) L3MBTL1EIF4EBP1DUTCA1CA2
SCHEMBL16632282 0.88 L3MBTL1 (0.47) L3MBTL1EIF4EBP1CA1CA2ICMT
SCHEMBL16632555 0.87 L3MBTL1 (0.47) L3MBTL1EIF4EBP1DUT
SCHEMBL16632610 0.84 L3MBTL1 (0.40) L3MBTL1EIF4EBP1DUTMAPT
SCHEMBL16632334 0.83 L3MBTL1 (0.45) L3MBTL1DUTMAPTIDH1TSHR
SCHEMBL14871891 0.82 L3MBTL1 (0.48) L3MBTL1EIF4EBP1DUTICMTAR

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 879/4885EIF4EBP1 4140/4885DUT 19/4885

“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.