SCHEMBL10079549

SCHEMBL10079549

CCCNC(=O)c1ccc(N)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 4/20 0.54
POLB P06746 3/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 3/20 0.51
KMT2A Q03164 2/20 0.51
THRB P10828 1/20 0.51
RECQL P46063 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.46
NAMPT P43490 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CYP2D6 P10635 1/20 0.45
SLC6A2 P23975 1/20 0.45

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
SCHEMBL3435778 0.91 SMN1; SMN2 (0.60) SMN1; SMN2LMNAHPGDPOLBHTT
SCHEMBL5925601 0.90 L3MBTL1 (0.56) SMN1; SMN2LMNAHPGDPOLBHTT
SCHEMBL879254 0.88 L3MBTL1 (0.58) SMN1; SMN2LMNAHPGDPOLBHTT
SCHEMBL3111273 0.87 KDM4E (0.54) SMN1; SMN2LMNAHPGDPOLBHTT
SCHEMBL11680022 0.86 HPGD (0.73) SMN1; SMN2LMNAHPGDPOLBHTT
SCHEMBL23350852 0.85 L3MBTL1 (0.57) SMN1; SMN2LMNAHPGDPOLBL3MBTL1
SCHEMBL13753103 0.85 HPGD (0.73) SMN1; SMN2LMNAHPGDPOLBHTT
SCHEMBL879197 0.85 HPGD (0.76) SMN1; SMN2LMNAHPGDPOLBHTT
Declopramide SCHEMBL30719968 0.84 LMNA (0.66) SMN1; SMN2LMNAHPGDPOLBKDM4E
Declopramide SCHEMBL922516 0.84 LMNA (0.66) SMN1; SMN2LMNAHPGDPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180002296-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. 2018-01-04 US disclosed
US-20150094284-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. 2015-04-02 US disclosed
US-8481581-B2 S-triazolyl α-mercaptoacetanilides as inhibitors of HIV reverse transcriptase ARDEA BIOSCIENCES, INC. (US) 2013-07-09 US disclosed
US-20120283301-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES INC. (US) 2012-11-08 US disclosed
US-8252828-B2 S-triazolyl α-mercapto acetanilides as inhibitors of HIV reverse transcriptase ARDEA BIOSCIENCES, INC. (US) 2012-08-28 US disclosed
EP-1789039-B1 S-TRIAZOLYL ALPHA -MERCAPTOACETANILDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES INC (US) 2012-01-11 EP disclosed
US-20110313157-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES INC. (US) 2011-12-22 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 (4 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-20120283301-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST SMN1; SMN2 2651/4885LMNA 4749/4885HPGD 1365/4885
US-20150094284-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST SMN1; SMN2 2651/4885LMNA 4749/4885HPGD 1365/4885
US-20180002296-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST SMN1; SMN2 2651/4885LMNA 4749/4885HPGD 1365/4885
US-20110313157-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST SMN1; SMN2 2651/4885LMNA 4749/4885HPGD 1365/4885

“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.