SCHEMBL16632457

SCHEMBL16632457

N#Cc1cc2c(Oc3ccccc3O)cc(Cl)cn2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.36
GRM5 P41594 3/20 0.36
NR1I2 O75469 2/20 0.33
HSD11B1 P28845 1/20 0.33
STK39 Q9UEW8 1/20 0.32
CCR2 P41597 1/20 0.32
LMNA P02545 1/20 0.31
TTR P02766 1/20 0.31
PGR P06401 1/20 0.31
HSP90AA1 P07900 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
MAPT P10636 1/20 0.31
HSPA5 P11021 1/20 0.31
HPGD P15428 1/20 0.31
CBR1 P16152 1/20 0.31
TBXA2R P21731 1/20 0.31
SLC6A2 P23975 1/20 0.31
AGTR1 P30556 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KMT2A Q03164 2/20 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
SCHEMBL16632281 0.87 TTR (0.47) ARGRM5NR1I2LMNATTR
SCHEMBL16632736 0.86 GRM5 (0.35) ARGRM5NR1I2LMNATTR
SCHEMBL16632585 0.85 AR (0.45) ARGRM5LMNAMAPTSLC6A2
SCHEMBL16632649 0.85 GRM5 (0.41) ARGRM5LMNAPGR
SCHEMBL16632575 0.85 AR (0.39) ARGRM5MAPTHPGDPOLB
SCHEMBL16632447 0.83 AR (0.39) ARGRM5NR1I2HSD11B1LMNA
SCHEMBL16632433 0.78 TTR (0.44) ARNR1I2HSD11B1CCR2LMNA
SCHEMBL16632394 0.77 SLC6A4 (0.53) ARTTRMAPTHPGDSLC6A2
SCHEMBL16632481 0.76 SLC6A4 (0.44) ARGRM5PGRSLC6A2SLC6A3
SCHEMBL16632694 0.74 GRM5 (0.37) ARGRM5

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 AR 3070/4885GRM5 2115/4885NR1I2 3463/4885

“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.