SCHEMBL16632412

SCHEMBL16632412

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
EIF4EBP1 Q13541 7/20 0.39
SLC6A4 P31645 2/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 2/20 0.33
SLC6A3 Q01959 1/20 0.33
IDH1 O75874 4/20 0.33
FFAR1 O14842 1/20 0.33
PPARG P37231 1/20 0.33
ICMT O60725 2/20 0.32
CCNE2 O96020 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 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
SCHEMBL16632555 0.94 L3MBTL1 (0.47) L3MBTL1EIF4EBP1SLC6A4CYP1A2CYP2C19
SCHEMBL16632595 0.93 L3MBTL1 (0.44) L3MBTL1EIF4EBP1SLC6A4KCNH2IDH1
SCHEMBL16632420 0.93 L3MBTL1 (0.47) L3MBTL1EIF4EBP1IDH1ICMTCCNE2
SCHEMBL16632282 0.91 L3MBTL1 (0.47) L3MBTL1EIF4EBP1SLC6A4CYP1A2CYP2C19
SCHEMBL14871830 0.87 L3MBTL1 (0.53) L3MBTL1EIF4EBP1SLC6A4CYP1A2CYP2C19
SCHEMBL16116697 0.87 L3MBTL1 (0.53) L3MBTL1EIF4EBP1SLC6A4CYP1A2CYP2C19
SCHEMBL16632610 0.86 L3MBTL1 (0.40) L3MBTL1EIF4EBP1
SCHEMBL16632698 0.86 L3MBTL1 (0.53) L3MBTL1EIF4EBP1CYP1A2CYP2C19
SCHEMBL14863083 0.83 L3MBTL1 (0.56) L3MBTL1EIF4EBP1CYP1A2CYP2C19KCNH2
SCHEMBL14871828 0.83 L3MBTL1 (0.55) L3MBTL1EIF4EBP1CYP1A2CYP2C19KCNH2

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 4140/4885SLC6A4 4266/4885

“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.