SCHEMBL16632787

SCHEMBL16632787

O=c1ccn(CCOc2cc(Cl)ccc2Oc2cccc3[nH]ccc23)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 6/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
TRPA1 O75762 1/20 0.40
EIF4EBP1 Q13541 6/20 0.36
HTR1B P28222 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL16632490 0.89 L3MBTL1 (0.44) RHEBL3MBTL1EGFRERBB2TRPA1
SCHEMBL16632415 0.82 L3MBTL1 (0.48) L3MBTL1EIF4EBP1
SCHEMBL16632682 0.80 L3MBTL1 (0.47) L3MBTL1EIF4EBP1KMT2AMCL1
SCHEMBL16632486 0.80 L3MBTL1 (0.53) L3MBTL1EIF4EBP1MCL1
SCHEMBL16632282 0.79 L3MBTL1 (0.47) L3MBTL1EIF4EBP1MCL1
SCHEMBL16634456 0.78 L3MBTL1 (0.44) L3MBTL1EIF4EBP1
SCHEMBL16632611 0.78 L3MBTL1 (0.48) L3MBTL1EIF4EBP1
SCHEMBL16632698 0.78 L3MBTL1 (0.53) RHEBL3MBTL1EIF4EBP1MCL1
SCHEMBL16632528 0.75 L3MBTL1 (0.43) L3MBTL1MEN1MAPTKMT2AHTR1A
SCHEMBL16116697 0.74 L3MBTL1 (0.53) RHEBL3MBTL1EIF4EBP1

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 RHEB 2503/4885L3MBTL1 879/4885EGFR 4523/4885

“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.