SCHEMBL402898

SCHEMBL402898

c1csc(C2=NCCS2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.35
CYP2A6 P11509 1/20 0.35
ADORA2A P29274 5/20 0.35
HSP90AA1 P07900 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NOS1 P29475 2/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 2/20 0.33
ADRB2 P07550 1/20 0.33
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL102331 0.69 PDPK1 (0.59) PDPK1LOXL2CYP2A6ADORA2AHSP90AA1
SCHEMBL11128734 0.68 ALDH1A1 (0.42) ALDH1A1NOS1MAPTATMRAB9A
SCHEMBL29244163 0.68 PDPK1 (0.39) PDPK1LOXL2CYP2A6ADORA2AHSP90AA1
SCHEMBL30534095 0.67 PDPK1 (0.56) PDPK1LOXL2CYP2A6ADORA2AHSP90AA1
SCHEMBL30632310 0.67 PDPK1 (0.56) PDPK1LOXL2CYP2A6ADORA2AHSP90AA1
SCHEMBL31556353 0.67 PDPK1 (0.56) PDPK1LOXL2CYP2A6ADORA2AHSP90AA1
SCHEMBL28154527 0.67 PDPK1 (0.56) PDPK1LOXL2CYP2A6ADORA2AHSP90AA1
Aminothiazole SCHEMBL27579629 0.67 NOS2 (0.61) HSP90AA1ALDH1A1NOS1TSHRHSD17B10
SCHEMBL27691005 0.66 ALDH1A1 (0.46) ADORA2AALDH1A1MAPTRAB9ANPC1
SCHEMBL21689149 0.65 NOS3 (0.39) NOS1NOS3NOS2LMNASMN1; SMN2

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 108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107151243-B 2-substituted-4-methyl-5- (4, 5-dihydrothiazole-2-yl) -1, 3-thiazole compounds, preparation method and biological activity evaluation thereof 江苏海洋大学 2020-09-08 CN claimed
CN-107151243-A 24 methyl 5 of substitution(The base of 4,5 thiazoline 2)1,3 thiazole compounds and preparation method thereof and biological evaluation 淮海工学院 2017-09-12 CN claimed
CN-104892543-B Thiazole compounds, as well as synthesis method and application thereof 南京林业大学 2017-02-22 CN claimed
EP-2378877-A1 IMIDAZOLINONE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2011-10-26 EP claimed
WO-2010077752-A1 IMIDAZOLINONE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-07-08 WO claimed
CN-110755425-B Application of Largazole in preparation of medicine for treating diseases caused by overexpression of Msi1 gene ectopy 中国农业大学 2022-06-24 CN disclosed
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound FUJIFILM CORPORATION (JP) 2022-05-03 US disclosed
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc. (US) 2022-01-27 US disclosed
US-11084811-B2 Compounds for treatment of cancer Oncternal Therapeutics, Inc. (US) 2021-08-10 US disclosed
CN-110172067-B Thiazole medicine molecule with bactericidal activity and preparation method thereof 河南科技大学第一附属医院 2021-06-15 CN disclosed
CN-107151243-B 2-substituted-4-methyl-5- (4, 5-dihydrothiazole-2-yl) -1, 3-thiazole compounds, preparation method and biological activity evaluation thereof 江苏海洋大学 2020-09-08 CN disclosed
US-10676504-B2 Method for preparing largazole analogs and uses thereof COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-06-09 US disclosed
WO-2003080828-A2 NUCLEIC ACID MOLECULES INVOLVED IN THE SYNTHESIS OF MELITHIAZOLS GBF - GESELLSCHAFT FÜR BIOTECHNOLOGISCHEFORSCHUNG M.B.H. (DE) 2003-10-02 WO disclosed
US-5518874-A FORMING GRAINS IN THE PRESENCE OF SPECIFIED COMPOUND KONICA CORPORATION (JP) 1996-05-21 US disclosed
EP-0462579-A1 Method of manufacturing a silver halide emulsion KONICA CORPORATION (JP) 1991-12-27 EP disclosed
EP-0365348-A2 A silver halide color photographic light-sensitive material KONICA CORPORATION (JP) 1990-04-25 EP disclosed
US-4576938-A Cephalosporin compound and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1986-03-18 US disclosed
EP-0014476-B1 OPTICALLY ACTIVE ACYLATED CEPHALOSPORIN ANALOGS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1983-08-10 EP disclosed
EP-0081971-A2 Novel cephalosporin compound and process for preparing the same Tanabe Seiyaku Co., Ltd. (JP) 1983-06-22 EP disclosed
US-4188382-A Thiazolinyl (thiazolyl) phosphonamidates and phosphoramidates pesticidal and herbicidal compositions based thereon Vsesojuzny Nauchno, et al. (SU) 1980-02-12 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-10676504-B2 Method for preparing largazole analogs and uses thereof CYP51A1, ADPRS, LPXN PDPK1 3320/4885LOXL2 1161/4885CYP2A6 315/4885
US-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 PDPK1 278/4885LOXL2 2211/4885CYP2A6 4046/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 PDPK1 278/4885LOXL2 2211/4885CYP2A6 4046/4885
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound VIP, NPPA, NGLY1 PDPK1 2536/4885LOXL2 4195/4885CYP2A6 4664/4885

“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.