SCHEMBL16632349

SCHEMBL16632349

N#Cc1cc2c(Oc3ccc(F)cc3OCCn3ccc(=O)[nH]c3=O)cccc2o1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.36
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
DUT P33316 9/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CYP19A1 P11511 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
MAOB P27338 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
SCHEMBL16632606 0.92 L3MBTL1 (0.39) L3MBTL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL16634456 0.90 L3MBTL1 (0.44) L3MBTL1DUTTSHRNPSR1CYP19A1
SCHEMBL16634455 0.89 L3MBTL1 (0.35) L3MBTL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL16634453 0.81 L3MBTL1 (0.39) L3MBTL1MEN1KMT2ADUTHTR2C
SCHEMBL16632387 0.81 L3MBTL1 (0.43) L3MBTL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL16632569 0.81 L3MBTL1 (0.37) L3MBTL1MEN1MAPTKMT2ADUT
SCHEMBL16632519 0.78 L3MBTL1 (0.39) L3MBTL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL16632610 0.78 L3MBTL1 (0.40) L3MBTL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL16632609 0.77 L3MBTL1 (0.40) L3MBTL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL16632682 0.77 L3MBTL1 (0.47) L3MBTL1KMT2ADUTTSHRCYP19A1

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 879/4885MEN1 4881/4885ALDH1A1 1200/4885

“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.