SCHEMBL16632440

SCHEMBL16632440

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P4HB P07237 2/20 0.37
SCN8A Q9UQD0 2/20 0.36
SCN10A Q9Y5Y9 2/20 0.36
NCEH1 Q6PIU2 2/20 0.36
AR P10275 2/20 0.35
TBXA2R P21731 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33

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
SCHEMBL16632358 0.90 NCEH1 (0.38) P4HBNCEH1ARTBXA2RNR3C1
SCHEMBL16632380 0.89 AR (0.40) NCEH1AR
SCHEMBL16632713 0.88 TTR (0.46) NCEH1ARTBXA2RPGR
SCHEMBL16632452 0.88 P4HB (0.39) P4HBNCEH1AR
SCHEMBL16632675 0.84 AR (0.53) SCN8ASCN10AARNR3C1PGR
SCHEMBL16632414 0.78 AR (0.53) SCN8ASCN10AAR
SCHEMBL16632982 0.77 TTR (0.48) NCEH1ARTBXA2RPGR
SCHEMBL16632539 0.76 SLC6A4 (0.50) SCN8ASCN10ANCEH1ARNR3C1
SCHEMBL16640622 0.75 AR (0.54) SCN8ASCN10AAR
SCHEMBL16632596 0.75 AR (0.43) NCEH1AR

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 P4HB 1959/4885SCN8A 4760/4885SCN10A 4842/4885

“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.