SCHEMBL16632713

SCHEMBL16632713

N#Cc1ccc2c(Oc3ccc(Cl)cc3O)cc(F)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.46
SLC6A3 Q01959 2/20 0.46
HPGD P15428 2/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
PGR P06401 1/20 0.46
HSP90AA1 P07900 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
MAPT P10636 1/20 0.46
HSPA5 P11021 1/20 0.46
CBR1 P16152 1/20 0.46
TBXA2R P21731 1/20 0.46
SLC6A2 P23975 1/20 0.46
AGTR1 P30556 1/20 0.46
SLC6A4 P31645 2/20 0.40
KCNH2 Q12809 1/20 0.40
NCEH1 Q6PIU2 2/20 0.39
AR P10275 1/20 0.36
TMPRSS4 Q9NRS4 1/20 0.34
MRGPRX4 Q96LA9 1/20 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
SCHEMBL16632982 0.90 TTR (0.48) TTRSLC6A3HPGDNR1I2LMNA
SCHEMBL16632440 0.88 P4HB (0.37) PGRTBXA2RNCEH1AR
SCHEMBL16632358 0.86 NCEH1 (0.38) TTRSLC6A3HPGDNR1I2LMNA
SCHEMBL16632541 0.84 SLC6A4 (0.57) TTRSLC6A3SLC6A2SLC6A4KCNH2
SCHEMBL16632470 0.84 TTR (0.47) TTRSLC6A3HPGDNR1I2LMNA
SCHEMBL16632380 0.83 AR (0.40) NCEH1AR
SCHEMBL14861293 0.77 TTR (0.58) TTRSLC6A3HPGDNR1I2LMNA
SCHEMBL16632596 0.77 AR (0.43) SLC6A3SLC6A4KCNH2NCEH1AR
SCHEMBL16632452 0.77 P4HB (0.39) SLC6A3SLC6A2SLC6A4NCEH1AR
SCHEMBL16632539 0.76 SLC6A4 (0.50) SLC6A3PGRSLC6A2SLC6A4KCNH2

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 TTR 4120/4885SLC6A3 3639/4885HPGD 839/4885

“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.