SCHEMBL6286095

SCHEMBL6286095

O=C(Cc1cccnc1)c1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.60
WNT3A P56704 4/20 0.60
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
KDM4E B2RXH2 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
GFER P55789 1/20 0.56
HPGD P15428 1/20 0.55
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
TP53 P04637 1/20 0.53
PKM P14618 1/20 0.53
VNN1 O95497 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TBXAS1 P24557 2/20 0.52
NAMPT P43490 1/20 0.51
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL6283616 0.92 SMN1; SMN2 (0.71) CTNNB1WNT3ANPC1RAB9AKDM4E
SCHEMBL25226114 0.84 HPGD (0.68) CTNNB1WNT3ANPC1RAB9AKDM4E
SCHEMBL6276695 0.83 RAB9A (0.61) CTNNB1WNT3ANPC1RAB9AKDM4E
SCHEMBL1516344 0.83 NPC1 (0.83) CTNNB1WNT3ANPC1RAB9AKDM4E
SCHEMBL15979977 0.83 CTNNB1 (0.85) CTNNB1WNT3ANPC1RAB9AKDM4E
SCHEMBL9664209 0.83 HPGD (0.59) NPC1RAB9AKDM4ESMN1; SMN2GFER
SCHEMBL109197 0.80 ALDH1A1 (0.64) CTNNB1WNT3ANPC1RAB9AKDM4E
SCHEMBL9527417 0.78 NPC1 (0.64) CTNNB1WNT3ANPC1RAB9AKDM4E
SCHEMBL25222929 0.75 HSD17B10 (0.65) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2
SCHEMBL6282341 0.75 IDO1 (0.58) NPC1RAB9AKDM4ESMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1027050-B1 1,3-THIAZOLES AS ADENOSINE A3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGY, ASTHMA AND DIABETES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-14 EP disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
US-6620825-B1 1,3-Azole compound substituted by pyridyl; administering as antiasthmatic, antiinflammatory or antiallergen agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-16 US disclosed
US-6436966-B1 Adenosine A3 receptor antagonists TAKEDA CHEMICAL IND., LTD. (JP) 2002-08-20 US disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP disclosed
EP-1027050-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-08-16 EP disclosed
WO-1999021555-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-06 WO disclosed
EP-0149884-B1 5-PYRIDYL-1,3-THIAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-12-16 EP disclosed
US-4612321-A 5-pyridyl-1,3-thiazole derivatives TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 1986-09-16 US disclosed
EP-0149884-A2 5-Pyridyl-1,3-thiazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-07-31 EP 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 CTNNB1 3174/4885WNT3A 1622/4885NPC1 1275/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 CTNNB1 4782/4885WNT3A 4007/4885NPC1 3258/4885

“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.