SCHEMBL16632647

SCHEMBL16632647

N#Cc1cc2c(Oc3ccc(Cl)cc3OCCn3ccc(=O)[nH]c3=O)cccn2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
EIF4EBP1 Q13541 9/20 0.34
XBP1 P17861 1/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
FFAR1 O14842 1/20 0.32
PPARG P37231 1/20 0.32
SLC6A4 P31645 1/20 0.32
DUT P33316 1/20 0.31
NTRK1 P04629 1/20 0.31
NTRK3 Q16288 1/20 0.31
NTRK2 Q16620 1/20 0.31
KLKB1 P03952 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
SCHEMBL16632520 0.91 L3MBTL1 (0.49) L3MBTL1CYP1A2CYP2C19EIF4EBP1XBP1
SCHEMBL16632701 0.91 L3MBTL1 (0.42) L3MBTL1DUT
SCHEMBL16632519 0.90 L3MBTL1 (0.39) L3MBTL1DUT
SCHEMBL16632516 0.88 L3MBTL1 (0.40) L3MBTL1DUT
SCHEMBL16632570 0.87 L3MBTL1 (0.39) L3MBTL1DUT
SCHEMBL17883370 0.86 L3MBTL1 (0.44) L3MBTL1CYP1A2CYP2C19DUT
SCHEMBL16632609 0.82 L3MBTL1 (0.40) L3MBTL1DUT
SCHEMBL16116697 0.82 L3MBTL1 (0.53) L3MBTL1CYP1A2CYP2C19EIF4EBP1XBP1
SCHEMBL14871830 0.82 L3MBTL1 (0.53) L3MBTL1CYP1A2CYP2C19EIF4EBP1XBP1
SCHEMBL14871847 0.81 L3MBTL1 (0.58) L3MBTL1CYP1A2CYP2C19EIF4EBP1XBP1

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 879/4885CYP1A2 567/4885CYP2C19 1318/4885

“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.