SCHEMBL16632569

SCHEMBL16632569

Cc1cc(Oc2ccccc2OCCn2ccc(=O)[nH]c2=O)c2cc(C#N)oc2c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.36
HTR1A P08908 2/20 0.35
HTR2A P28223 2/20 0.35
DUT P33316 3/20 0.34
CNR2 P34972 2/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL16634455 0.91 L3MBTL1 (0.35) L3MBTL1MAPTHTR1AHTR2ADUT
SCHEMBL16632387 0.89 L3MBTL1 (0.43) L3MBTL1TSHRNPSR1MAPTDUT
SCHEMBL16632606 0.89 L3MBTL1 (0.39) L3MBTL1TSHRNPSR1MAPTDUT
SCHEMBL16632489 0.82 L3MBTL1 (0.38) L3MBTL1TSHRNPSR1MAPTHTR1A
SCHEMBL16632349 0.81 L3MBTL1 (0.36) L3MBTL1TSHRNPSR1MAPTDUT
SCHEMBL16634456 0.81 L3MBTL1 (0.44) L3MBTL1TSHRNPSR1DUT
SCHEMBL16632738 0.78 L3MBTL1 (0.40) L3MBTL1TSHRNPSR1MAPTDUT
SCHEMBL16644667 0.74 L3MBTL1 (0.41) L3MBTL1DUT
SCHEMBL16632752 0.74 CNR2 (0.45) L3MBTL1CNR2MAPK1GPR55
SCHEMBL16632436 0.74 HTR1A (0.42) L3MBTL1TSHRNPSR1MAPTHTR1A

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 879/4885TSHR 4583/4885NPSR1 4117/4885

“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.