SCHEMBL6281987

SCHEMBL6281987

COc1ccccc1C(=O)Cc1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 2/20 0.58
NPC1 O15118 2/20 0.53
TSHR P16473 1/20 0.52
RAB9A P51151 2/20 0.51
TP53 P04637 2/20 0.50
USP2 O75604 1/20 0.50
CTNNB1 P35222 1/20 0.50
WNT3A P56704 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CTSD P07339 1/20 0.49
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
Bromide SCHEMBL8370980 0.98 POLB (0.62) POLBSMN1; SMN2MAPTNPC1TSHR
SCHEMBL3282912 0.87 NPC1 (0.63) POLBSMN1; SMN2NPC1RAB9ATP53
SCHEMBL29861033 0.87 NPC1 (0.63) POLBSMN1; SMN2NPC1RAB9ATP53
SCHEMBL19419913 0.84 TP53 (0.56) SMN1; SMN2MAPTNPC1RAB9ATP53
Hydrochloric Acid SCHEMBL8968371 0.82 IDO1 (0.61) POLBNPC1TSHRRAB9AL3MBTL1
SCHEMBL8968394 0.79 NPC1 (0.50) POLBSMN1; SMN2NPC1RAB9ATP53
SCHEMBL5258963 0.79 MAPK1 (0.60) POLBSMN1; SMN2MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL11475020 0.78 POLB (0.59) POLBSMN1; SMN2MAPTNPC1TSHR
Bromide SCHEMBL8967719 0.78 MAPK1 (0.59) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL332837 0.77 TTR (0.66) SMN1; SMN2MAPTNPC1TSHRCTNNB1

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 POLB 3338/4885SMN1; SMN2 4112/4885MAPT 2844/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 POLB 3778/4885SMN1; SMN2 4349/4885MAPT 2113/4885

“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.