SCHEMBL3890809

SCHEMBL3890809

Cc1cc(CC(=O)c2ccc(F)cc2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
WNT3A P56704 4/20 0.44
NPC1 O15118 4/20 0.42
PTPN1 P18031 1/20 0.42
HTR7 P34969 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD11B1 P28845 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR3C2 P08235 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 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
SCHEMBL6606556 0.85 WNT3A (0.50) RAB9AWNT3ANPC1KDM4EMAPK1
SCHEMBL828092 0.84 RAB9A (0.53) RAB9ANPC1PTPN1HTR7ALDH1A1
SCHEMBL13740532 0.84 WNT3A (0.46) RAB9AWNT3ANPC1ALDH1A1HPGD
SCHEMBL4474830 0.82 RAB9A (0.50) RAB9ANPC1PTPN1HTR7ALDH1A1
SCHEMBL2980415 0.82 RAB9A (0.50) RAB9ANPC1PTPN1HTR7ALDH1A1
SCHEMBL14143255 0.82 RAB9A (0.50) RAB9AWNT3ANPC1PTPN1HTR7
SCHEMBL3890841 0.81 GAA (0.44) RAB9AWNT3ANPC1ALDH1A1L3MBTL1
SCHEMBL15001691 0.80 PLOD2 (0.46) RAB9AWNT3ANPC1PTPN1HTR7
SCHEMBL3894727 0.78 PSEN1 (0.49) WNT3AHPGDTP53NR3C2KMT2A
SCHEMBL2645324 0.77 LTA4H (0.58) RAB9ANPC1PTPN1HTR7ALDH1A1

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 RAB9A 958/4885WNT3A 1622/4885NPC1 1275/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 RAB9A 1894/4885WNT3A 2485/4885NPC1 3921/4885

“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.