SCHEMBL16632611

SCHEMBL16632611

O=c1ccn(CCOc2cc(Cl)ccc2Oc2cccc3ccoc23)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
EIF4EBP1 Q13541 8/20 0.38
CYP3A4 P08684 1/20 0.35
NTRK1 P04629 2/20 0.34
NTRK3 Q16288 2/20 0.34
NTRK2 Q16620 2/20 0.34
DUT P33316 5/20 0.33
XBP1 P17861 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL16632415 0.85 L3MBTL1 (0.48) L3MBTL1EIF4EBP1NTRK1NTRK3NTRK2
SCHEMBL16644679 0.84 L3MBTL1 (0.47) L3MBTL1EIF4EBP1CYP3A4DUTCYP1A2
SCHEMBL16632486 0.79 L3MBTL1 (0.53) L3MBTL1EIF4EBP1DUTXBP1CYP1A2
SCHEMBL16632282 0.78 L3MBTL1 (0.47) L3MBTL1EIF4EBP1CYP1A2CYP2C19
SCHEMBL16632787 0.78 RHEB (0.52) L3MBTL1EIF4EBP1
SCHEMBL16632682 0.78 L3MBTL1 (0.47) L3MBTL1EIF4EBP1NTRK1NTRK3NTRK2
SCHEMBL14871824 0.77 L3MBTL1 (0.54) L3MBTL1EIF4EBP1CYP3A4DUTXBP1
SCHEMBL14871819 0.77 L3MBTL1 (0.54) L3MBTL1EIF4EBP1CYP3A4DUTXBP1
SCHEMBL16632698 0.77 L3MBTL1 (0.53) L3MBTL1EIF4EBP1DUTXBP1CYP1A2
SCHEMBL16634456 0.76 L3MBTL1 (0.44) L3MBTL1EIF4EBP1NTRK1NTRK3NTRK2

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 4140/4885CYP3A4 614/4885

“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.