SCHEMBL16632595

SCHEMBL16632595

N#Cc1ccc2c(Oc3ccc(F)cc3OCCn3ccc(=O)[nH]c3=O)cc(Cl)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
EIF4EBP1 Q13541 4/20 0.34
DUT P33316 5/20 0.33
KCNH2 Q12809 1/20 0.33
PARP1 P09874 2/20 0.33
SCN8A Q9UQD0 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
PARP3 Q9Y6F1 1/20 0.32
IDH1 O75874 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL16632555 0.94 L3MBTL1 (0.47) L3MBTL1EIF4EBP1DUTKCNH2SLC6A4
SCHEMBL16632610 0.94 L3MBTL1 (0.40) L3MBTL1EIF4EBP1DUTPARP1SCN8A
SCHEMBL16632412 0.93 L3MBTL1 (0.49) L3MBTL1EIF4EBP1KCNH2IDH1SLC6A4
SCHEMBL16632420 0.91 L3MBTL1 (0.47) L3MBTL1EIF4EBP1DUTIDH1
SCHEMBL16634453 0.89 L3MBTL1 (0.39) L3MBTL1EIF4EBP1DUTPARP1SCN8A
SCHEMBL16632484 0.89 L3MBTL1 (0.40) L3MBTL1DUTPARP1PARP2GRIN1
SCHEMBL16632282 0.86 L3MBTL1 (0.47) L3MBTL1EIF4EBP1SLC6A4
SCHEMBL17883370 0.81 L3MBTL1 (0.44) L3MBTL1DUTKCNH2GRIN1GRIN2B
SCHEMBL16632698 0.81 L3MBTL1 (0.53) L3MBTL1EIF4EBP1DUT
SCHEMBL16116697 0.80 L3MBTL1 (0.53) L3MBTL1EIF4EBP1KCNH2SLC6A4

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.