SCHEMBL6281618

SCHEMBL6281618

Cc1cc(C)cc(C(=O)Cc2ccncc2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.43
VNN1 O95497 1/20 0.42
CYP19A1 P11511 3/20 0.41
TPMT P51580 1/20 0.41
NT5E P21589 1/20 0.41
GRM1 Q13255 1/20 0.40
NAMPT P43490 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 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
SCHEMBL6546374 0.86 GAA (0.51) GAAALDH1A1MAPTTDP1RAB9A
SCHEMBL3073424 0.85 NT5E (0.55) GAAALDH1A1MAPTTDP1RAB9A
Bromide SCHEMBL7174798 0.84 GAA (0.45) GAAALDH1A1MAPTTDP1RAB9A
SCHEMBL2512740 0.84 RAB9A (0.64) GAARAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL28163187 0.81 GAA (0.54) GAAALDH1A1MAPTTDP1RAB9A
SCHEMBL3890841 0.81 GAA (0.44) GAAALDH1A1MAPTTDP1RAB9A
SCHEMBL6203734 0.81 ALDH1A1 (0.55) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL6280937 0.80 IDO1 (0.56) MAPTTDP1LMNAVNN1NAMPT
SCHEMBL1395223 0.80 RAB9A (0.64) ALDH1A1RAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL6284274 0.79 CCNC (0.51) GAAALDH1A1MAPTRAB9ASMN1; SMN2

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 GAA 2036/4885ALDH1A1 3345/4885MAPT 2844/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 GAA 2982/4885ALDH1A1 3292/4885MAPT 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.