SCHEMBL6889098

SCHEMBL6889098

CCCCc1ccc(C(N)=S)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
RARB P10826 2/20 0.53
PLK1 P53350 1/20 0.53
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
CA2 P00918 2/20 0.50
CA1 P00915 1/20 0.50
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
SHBG P04278 1/20 0.47

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
SCHEMBL15679902 0.94 SMN1; SMN2 (0.62) SMN1; SMN2RARBTHRATHRBALDH1A1
SCHEMBL15654657 0.92 SMN1; SMN2 (0.60) SMN1; SMN2RARBTHRATHRBALDH1A1
SCHEMBL7897900 0.92 SMN1; SMN2 (0.60) SMN1; SMN2RARBTHRATHRBALDH1A1
SCHEMBL7900686 0.92 SMN1; SMN2 (0.60) SMN1; SMN2RARBTHRATHRBALDH1A1
SCHEMBL15655566 0.92 SMN1; SMN2 (0.60) SMN1; SMN2RARBTHRATHRBALDH1A1
SCHEMBL7897931 0.88 SMN1; SMN2 (0.69) SMN1; SMN2PLK1THRBCA2ALDH1A1
SCHEMBL10498106 0.82 RARB (0.55) RARBPLK1THRATHRBCA2
SCHEMBL10886973 0.82 RARB (0.59) RARBPLK1THRATHRBCA2
SCHEMBL8995527 0.80 PRSS1 (0.55) RARBPLK1THRATHRBCA2
SCHEMBL8679873 0.80 RARB (0.53) RARBPLK1THRATHRBCA2

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
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
US-10414759-B2 Phenylthiazoles and uses thereof PURDUE RESEARCH FOUNDATION (US) 2019-09-17 US disclosed
US-20140121249-A1 ANTIMICROBIAL SUBSTITUTED THIAZOLES AND METHODS OF USE PURDUE RESEARCH FOUNDATION 2014-05-01 US disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP 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-10414759-B2 Phenylthiazoles and uses thereof TPMT, TST, CLPP SMN1; SMN2 3041/4885RARB 2950/4885PLK1 1454/4885
US-20140121249-A1 ANTIMICROBIAL SUBSTITUTED THIAZOLES AND METHODS OF USE CLPP, ELANE, NOD2 SMN1; SMN2 3558/4885RARB 984/4885PLK1 3949/4885

“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.