SCHEMBL3900741

SCHEMBL3900741

CC=C=NC(=O)c1ccc(SC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.44
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 2/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL5200457 0.80 ALDH1A1 (0.45) ALDH1A1RAB9AMAPTMEN1LMNA
SCHEMBL3888131 0.79 CES2 (0.43) ALDH1A1RAB9AMAPTLMNANPC1
SCHEMBL3901954 0.79 CES2 (0.43) ALDH1A1RAB9AMAPTMEN1LMNA
SCHEMBL3889458 0.78 CES2 (0.39) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL6276575 0.76 ALDH1A1 (0.48) PLK1ALDH1A1RAB9AMAPTLMNA
SCHEMBL3890043 0.76 CES2 (0.50) PLK1RAB9AMAPTMEN1LMNA
SCHEMBL6281951 0.76 CYP2C9 (0.42) ALDH1A1RAB9AMAPTMEN1LMNA
SCHEMBL6280933 0.76 HDAC1 (0.50) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL6276563 0.75 CES2 (0.48) LMNACYP1A2
SCHEMBL10840304 0.74 PLK1 (0.53) PLK1ALDH1A1RAB9AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495018-B2 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-24 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US disclosed
EP-1268474-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
WO-2001074811-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 WO 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 PLK1 843/4885ALDH1A1 3345/4885RAB9A 958/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 PLK1 243/4885ALDH1A1 1660/4885RAB9A 1894/4885

“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.