SCHEMBL16632610

SCHEMBL16632610

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
PARP1 P09874 2/20 0.35
PARP2 Q9UGN5 1/20 0.35
SCN8A Q9UQD0 2/20 0.35
SCN10A Q9Y5Y9 2/20 0.35
PARP3 Q9Y6F1 1/20 0.34
DUT P33316 6/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
EIF4EBP1 Q13541 1/20 0.32
PDE3A Q14432 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL16632484 0.94 L3MBTL1 (0.40) L3MBTL1PARP1PARP2PARP3DUT
SCHEMBL16632595 0.94 L3MBTL1 (0.44) L3MBTL1PARP1PARP2SCN8ASCN10A
SCHEMBL16632555 0.93 L3MBTL1 (0.47) L3MBTL1DUTEIF4EBP1
SCHEMBL16634453 0.93 L3MBTL1 (0.39) L3MBTL1PARP1PARP2SCN8ASCN10A
SCHEMBL16632412 0.86 L3MBTL1 (0.49) L3MBTL1EIF4EBP1
SCHEMBL16632420 0.84 L3MBTL1 (0.47) L3MBTL1DUTEIF4EBP1MAPT
SCHEMBL16632604 0.84 L3MBTL1 (0.42) L3MBTL1DUTEIF4EBP1ALDH1A1MAPT
SCHEMBL16632282 0.83 L3MBTL1 (0.47) L3MBTL1EIF4EBP1
SCHEMBL16644711 0.83 L3MBTL1 (0.39) L3MBTL1DUTEIF4EBP1MEN1KMT2A
SCHEMBL16632609 0.81 L3MBTL1 (0.40) L3MBTL1SCN8ASCN10ADUTGRIN1

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 879/4885PARP1 681/4885PARP2 454/4885

“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.