SCHEMBL6379151

SCHEMBL6379151

O=C(Nc1ccc(F)c(Cl)c1)Nc1nnc(C(F)(F)F)s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.69
TAS1R1 Q7RTX1 1/20 0.69
TAS1R2 Q8TE23 1/20 0.69
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
SLC2A1 P11166 1/20 0.57
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
LMNA P02545 4/20 0.55
MAPT P10636 3/20 0.55
HTT P42858 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
BLM P54132 4/20 0.54
WRN Q14191 2/20 0.54
PTPRE P23469 1/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
TP53 P04637 1/20 0.51

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
SCHEMBL8561139 0.90 HTT (0.67) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL11872459 0.86 RAB9A (0.76) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL11865712 0.85 CA1 (0.71) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL11866601 0.85 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL11873631 0.84 LMNA (0.67) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL6370925 0.84 NPC1 (0.54) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL11712440 0.83 NPC1 (0.56) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL8565686 0.82 HTT (0.79) NPC1RAB9ASLC2A1MEN1KMT2A
SCHEMBL11873854 0.82 KMT2A (0.60) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL702814 0.81 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2NPC1RAB9A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2005-11-10 US claimed
US-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-16 US claimed
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-09 US claimed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 WO claimed
US-3990879-A SUBSTITUTED 1-THIADIAZOLYL-3-ARYL-UREAS ELI LILLY AND COMPANY (US) 1976-11-09 US claimed
US-20150150878-A1 Methods For Inhibiting Viruses By Targeting Cathepsin-L Cleavage Sites In The Viruses' Glycoproteins THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-06-04 US disclosed
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2005-11-10 US disclosed
US-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-16 US disclosed
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-09 US disclosed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 WO disclosed
US-3990879-A SUBSTITUTED 1-THIADIAZOLYL-3-ARYL-UREAS ELI LILLY AND COMPANY (US) 1976-11-09 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 (5 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-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 TAS1R3 1112/4885TAS1R1 539/4885TAS1R2 1158/4885
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 TAS1R3 1112/4885TAS1R1 539/4885TAS1R2 1158/4885
US-20150150878-A1 Methods For Inhibiting Viruses By Targeting Cathepsin-L Cleavage Sites In The Viruses' Glycoproteins CTSL, CTSH, CTSV TAS1R3 1552/4885TAS1R1 1769/4885TAS1R2 2421/4885
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 TAS1R3 1112/4885TAS1R1 539/4885TAS1R2 1158/4885
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA7, CHRNA1, CHRNA5 TAS1R3 1519/4885TAS1R1 1258/4885TAS1R2 1667/4885

“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.