SCHEMBL6283616

SCHEMBL6283616

O=C(Cc1cccnc1)c1ccc2c(c1)OCCO2

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.71
NPC1 O15118 3/20 0.71
RAB9A P51151 3/20 0.71
KDM4E B2RXH2 2/20 0.71
CTNNB1 P35222 10/20 0.70
WNT3A P56704 7/20 0.70
VNN1 O95497 1/20 0.61
ALDH1A1 P00352 2/20 0.54
TP53 P04637 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
KLF5 Q13887 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ATM Q13315 1/20 0.54
CHRNB2 P17787 1/20 0.53
CHRNA7 P36544 1/20 0.53
CHRNA4 P43681 1/20 0.53
HPGD P15428 2/20 0.52

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
SCHEMBL6286095 0.92 CTNNB1 (0.60) SMN1; SMN2NPC1RAB9AKDM4ECTNNB1
SCHEMBL15969122 0.83 CTNNB1 (1.00) SMN1; SMN2NPC1RAB9AKDM4ECTNNB1
SCHEMBL20185773 0.77 VNN1 (1.00) CTNNB1WNT3AVNN1
SCHEMBL25226114 0.76 HPGD (0.68) SMN1; SMN2NPC1RAB9AKDM4ECTNNB1
SCHEMBL22394673 0.75 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AKDM4ECTNNB1
SCHEMBL7830628 0.75 CTNNB1 (0.55) SMN1; SMN2NPC1RAB9AKDM4ECTNNB1
SCHEMBL6276695 0.75 RAB9A (0.61) SMN1; SMN2NPC1RAB9AKDM4ECTNNB1
SCHEMBL6282341 0.75 IDO1 (0.58) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL31326722 0.75 NAPRT (0.65) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL17672056 0.75 NAPRT (0.65) SMN1; SMN2NPC1RAB9AALDH1A1LMNA

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 11 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

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 SMN1; SMN2 4112/4885NPC1 1275/4885RAB9A 958/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 SMN1; SMN2 4349/4885NPC1 3258/4885RAB9A 3305/4885

“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.