SCHEMBL16632538

SCHEMBL16632538

N#Cc1cc2c(Oc3ccccc3OCCn3ccc(=O)[nH]c3=O)cc(F)cn2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
DUT P33316 11/20 0.35
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 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
SCHEMBL16632609 0.94 L3MBTL1 (0.40) L3MBTL1MAPTMEN1ALDH1A1KMT2A
SCHEMBL16632643 0.91 L3MBTL1 (0.40) L3MBTL1MAPTMEN1ALDH1A1KMT2A
SCHEMBL16632738 0.89 L3MBTL1 (0.40) L3MBTL1MAPTMEN1ALDH1A1KMT2A
SCHEMBL16632701 0.89 L3MBTL1 (0.42) L3MBTL1MAPTMEN1ALDH1A1KMT2A
SCHEMBL16632570 0.88 L3MBTL1 (0.39) L3MBTL1MAPTMEN1ALDH1A1KMT2A
SCHEMBL16632519 0.88 L3MBTL1 (0.39) L3MBTL1MAPTMEN1ALDH1A1KMT2A
SCHEMBL17883370 0.88 L3MBTL1 (0.44) L3MBTL1MAPTMEN1ALDH1A1KMT2A
SCHEMBL16632343 0.88 L3MBTL1 (0.37) L3MBTL1MAPTMEN1ALDH1A1KMT2A
SCHEMBL16632516 0.84 L3MBTL1 (0.40) L3MBTL1MAPTMEN1ALDH1A1KMT2A
SCHEMBL16632520 0.82 L3MBTL1 (0.49) L3MBTL1DUT

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 879/4885MAPT 1046/4885MEN1 4881/4885

“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.