SCHEMBL8554959

SCHEMBL8554959

Cc1cccc(C(=O)Nc2ncc(C)s2)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
LMNA P02545 3/20 0.70
NPC1 O15118 9/20 0.60
PAX8 Q06710 1/20 0.60
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
POLB P06746 1/20 0.59
SCD O00767 1/20 0.59
PKM P14618 2/20 0.58
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
ALDH1A1 P00352 2/20 0.55
HTT P42858 1/20 0.55
TP53 P04637 1/20 0.55
KCNK3 O14649 1/20 0.55
KCNH2 Q12809 1/20 0.55
KCNK9 Q9NPC2 1/20 0.55

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
SCHEMBL7352140 0.86 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2LMNANPC1PAX8
SCHEMBL1353749 0.86 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2LMNANPC1PAX8
SCHEMBL18122772 0.86 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2LMNANPC1KMT2A
SCHEMBL1270133 0.85 SMN1; SMN2 (0.75) RAB9ASMN1; SMN2LMNANPC1MEN1
SCHEMBL12742436 0.85 SMN1; SMN2 (0.66) RAB9ASMN1; SMN2LMNANPC1PAX8
SCHEMBL2753357 0.85 KDR (0.77) RAB9ASMN1; SMN2LMNANPC1MEN1
SCHEMBL5835970 0.84 CCNE1 (0.74) RAB9ASMN1; SMN2LMNANPC1MEN1
SCHEMBL8594861 0.84 ALDH1A1 (0.57) RAB9ASMN1; SMN2LMNANPC1MEN1
SCHEMBL20131195 0.83 LMNA (1.00) RAB9ASMN1; SMN2LMNAKMT2APOLB
SCHEMBL4756952 0.83 RAB9A (0.57) RAB9ASMN1; SMN2LMNANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815108-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-07 EP claimed
US-5683999-A Cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-04 US claimed
US-9376430-B2 Broad spectrum benzothiophene-nitrothiazolide and other antimicrobials UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-06-28 US disclosed
US-9333193-B2 Compositions and methods for treating tuberculosis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-05-10 US disclosed
US-8835644-B2 Broad spectrum benzothiophene-nitrothiazolide and other antimicrobials UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-09-16 US disclosed
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-01-12 US disclosed
EP-0815108-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-07 EP disclosed
US-5683999-A Cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-04 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-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS NMT1, MLEC, EPN1 RAB9A 3418/4885SMN1; SMN2 3853/4885LMNA 3713/4885

“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.