SCHEMBL3889487

SCHEMBL3889487

CC=C=NC(=O)c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
GAA P10253 2/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL3898425 0.83 HDAC8 (0.50) PARP1ALDH1A1MAPTPOLBKDM4E
SCHEMBL3887758 0.83 BCL2 (0.41) ALDH1A1MAPTTP53SMN1; SMN2NFKB1
SCHEMBL3887378 0.82 PARP1 (0.47) PARP1ALDH1A1MAPTGAAPOLB
SCHEMBL3889889 0.82 CES2 (0.50) PARP1ALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL28864381 0.81 PARP1 (0.53) PARP1ALDH1A1MAPTGAAPOLB
SCHEMBL3889458 0.80 CES2 (0.39) PARP1ALDH1A1MAPTGAAPOLB
SCHEMBL3892497 0.80 KAT6A (0.42) ALDH1A1MAPTGAAPOLBKDM4E
SCHEMBL3887425 0.80 CES2 (0.56) PARP1ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL3896473 0.80 RXRA (0.41) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL5824834 0.79 PARP1 (0.52) PARP1ALDH1A1MAPTGAAPOLB

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-7495018-B2 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-24 US disclosed
US-7199124-B2 JNK inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-03 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040063946-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 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-1364949-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2003-11-26 EP 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 (3 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 PARP1 3236/4885ALDH1A1 3345/4885MAPT 2844/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 PARP1 2821/4885ALDH1A1 1660/4885MAPT 1064/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 PARP1 2083/4885ALDH1A1 2596/4885MAPT 889/4885

“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.