SCHEMBL3900912

SCHEMBL3900912

Cc1cc(C(=O)N2CC2C)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
GHSR Q92847 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE2A O00408 3/20 0.42
GAA P10253 1/20 0.41
CHRNA7 P36544 1/20 0.41
MAPT P10636 1/20 0.41
PDK2 Q15119 2/20 0.40
PDK1 Q15118 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
MGLL Q99685 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL6279792 0.85 ALDH1A1 (0.59) HTTL3MBTL1HPGDALDH1A1TP53
SCHEMBL17098969 0.78 GAA (0.60) CPS1HTTL3MBTL1HPGDALDH1A1
SCHEMBL13727332 0.78 HPGD (0.63) HPGDALDH1A1TP53MEN1KMT2A
SCHEMBL3901950 0.78 GAA (0.51) CPS1HPGDGHSRMEN1KMT2A
SCHEMBL8234573 0.77 HPGD (0.76) HTTHPGDALDH1A1TP53MEN1
SCHEMBL26925579 0.77 TACR2 (0.45) CPS1HPGDPDE2APDK2PDK1
SCHEMBL4635777 0.76 KMT2A (0.44) HTTHPGDALDH1A1TP53MEN1
SCHEMBL13727031 0.76 KMT2A (0.44) HTTL3MBTL1HPGDALDH1A1TP53
SCHEMBL5200455 0.75 ALDH1A1 (0.54) HTTL3MBTL1HPGDALDH1A1MEN1
SCHEMBL133281 0.75 HTT (0.60) HTTL3MBTL1HPGDMEN1KMT2A

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 15 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-20080167314-A1 Condensed Imidazole Compound And Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 US disclosed
EP-1832588-A1 CONDENSED IMIDAZOLE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-09-12 EP disclosed
US-7199124-B2 JNK inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-03 US disclosed
US-6962933-B1 Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-08 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 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-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
EP-1268474-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 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 (5 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 CPS1 4782/4885HTT 4847/4885L3MBTL1 4484/4885
US-20080167314-A1 Condensed Imidazole Compound And Use Thereof MAPK13, MMP13, MAPK3 CPS1 4058/4885HTT 2225/4885L3MBTL1 3933/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 CPS1 2134/4885HTT 4703/4885L3MBTL1 1981/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 CPS1 4717/4885HTT 3987/4885L3MBTL1 4739/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 CPS1 3225/4885HTT 4703/4885L3MBTL1 2242/4885

“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.