SCHEMBL16632698

SCHEMBL16632698

O=c1ccn(CCOc2ccccc2Oc2cc(Cl)cc3cc(Cl)ccc23)c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
DUT P33316 5/20 0.38
MCL1 Q07820 4/20 0.36
BCL2L1 Q07817 2/20 0.36
BAD Q92934 1/20 0.36
XBP1 P17861 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
RHEB Q15382 1/20 0.35
BCL2 P10415 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
EIF4EBP1 Q13541 2/20 0.34

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
SCHEMBL16632486 0.92 L3MBTL1 (0.53) L3MBTL1DUTMCL1BCL2L1BAD
SCHEMBL16632420 0.90 L3MBTL1 (0.47) L3MBTL1DUTEIF4EBP1
SCHEMBL16632412 0.86 L3MBTL1 (0.49) L3MBTL1CYP1A2CYP2C19EIF4EBP1
SCHEMBL16632594 0.81 L3MBTL1 (0.48) L3MBTL1DUTMCL1BADLMNA
SCHEMBL16632595 0.81 L3MBTL1 (0.44) L3MBTL1DUTEIF4EBP1
SCHEMBL16632334 0.81 L3MBTL1 (0.45) L3MBTL1DUTRHEB
SCHEMBL16632282 0.80 L3MBTL1 (0.47) L3MBTL1MCL1BCL2L1BADCYP1A2
SCHEMBL16632555 0.80 L3MBTL1 (0.47) L3MBTL1DUTCYP1A2CYP2C19EIF4EBP1
SCHEMBL16632625 0.79 L3MBTL1 (0.42) L3MBTL1DUTMCL1BADNPC1
SCHEMBL16632387 0.79 L3MBTL1 (0.43) 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 879/4885DUT 19/4885MCL1 2386/4885

“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.