SCHEMBL15655693

SCHEMBL15655693

CCCCc1ccc(-c2nc(C)c(C(=O)NCCN(C)C)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
PPARA Q07869 10/20 0.48
GAA P10253 3/20 0.47
PPARG P37231 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
PPARD Q03181 3/20 0.43

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
SCHEMBL15656795 0.84 GAA (0.55) HPGDNPC1SMN1; SMN2PPARAGAA
SCHEMBL15655552 0.80 HPGD (0.52) HPGDNPC1SMN1; SMN2PPARAGAA
SCHEMBL15655839 0.80 HPGD (0.52) HPGDNPC1SMN1; SMN2PPARAGAA
SCHEMBL15655554 0.80 HPGD (0.52) HPGDNPC1SMN1; SMN2PPARAGAA
SCHEMBL15679907 0.79 RAB9A (0.63) HPGDNPC1SMN1; SMN2GAAALDH1A1
SCHEMBL20550692 0.78 RAB9A (0.69) HPGDNPC1SMN1; SMN2GAAALDH1A1
SCHEMBL15656009 0.78 LMNA (0.53) HPGDNPC1SMN1; SMN2GAAALDH1A1
SCHEMBL3403472 0.78 ACKR3 (0.52) HPGDNPC1SMN1; SMN2PPARAGAA
SCHEMBL15655355 0.77 GAA (0.51) HPGDNPC1SMN1; SMN2PPARAGAA
SCHEMBL3405629 0.76 CRHR1 (0.43) HPGDNPC1SMN1; SMN2PPARAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9801861-B2 Antimicrobial substituted thiazoles and methods of use PURDUE RESEARCH FOUNDATION (US) 2017-10-31 US disclosed
US-9801861-B2 Antimicrobial substituted thiazoles and methods of use PURDUE RESEARCH FOUNDATION (US) 2017-10-31 US disclosed
US-20160243088-A1 ANTIMICROBIAL SUBSTITUTED THIAZOLES AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2016-08-25 US disclosed
US-20160243088-A1 ANTIMICROBIAL SUBSTITUTED THIAZOLES AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2016-08-25 US disclosed
US-9353072-B2 Antimicrobial substituted thiazoles and methods of use PURDUE RESEARCH FOUNDATION (US) 2016-05-31 US disclosed
US-9353072-B2 Antimicrobial substituted thiazoles and methods of use PURDUE RESEARCH FOUNDATION (US) 2016-05-31 US disclosed
US-9353072-B2 Antimicrobial substituted thiazoles and methods of use PURDUE RESEARCH FOUNDATION (US) 2016-05-31 US disclosed
US-20140121249-A1 ANTIMICROBIAL SUBSTITUTED THIAZOLES AND METHODS OF USE PURDUE RESEARCH FOUNDATION 2014-05-01 US disclosed
US-20140121249-A1 ANTIMICROBIAL SUBSTITUTED THIAZOLES AND METHODS OF USE PURDUE RESEARCH FOUNDATION 2014-05-01 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 (2 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-20140121249-A1 ANTIMICROBIAL SUBSTITUTED THIAZOLES AND METHODS OF USE CLPP, ELANE, NOD2 HPGD 1785/4885NPC1 538/4885SMN1; SMN2 3558/4885
US-20160243088-A1 ANTIMICROBIAL SUBSTITUTED THIAZOLES AND METHODS OF USE CLPP, ELANE, NOD2 HPGD 1785/4885NPC1 538/4885SMN1; SMN2 3558/4885

“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.