SCHEMBL6283043

SCHEMBL6283043

CCCc1ccc(C(=O)Cc2ccncc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
L3MBTL1 Q9Y468 3/20 0.54
PLK1 P53350 1/20 0.49
THRB P10828 3/20 0.47
TRPV1 Q8NER1 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
KDR P35968 1/20 0.46
ITK Q08881 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.44
CTDSP1 Q9GZU7 2/20 0.44
THRA P10827 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL6280945 0.90 ALDH1A1 (0.56) KMT2APLK1THRBTRPV1ALDH1A1
SCHEMBL6282350 0.88 THRA (0.61) KMT2ATHRBALDH1A1MEN1THRA
SCHEMBL6283084 0.86 RAB9A (0.56) KMT2AL3MBTL1PLK1TRPV1ALDH1A1
SCHEMBL12065143 0.83 L3MBTL1 (0.62) KMT2AL3MBTL1PLK1THRBALDH1A1
SCHEMBL5670462 0.83 NPC1 (0.64) L3MBTL1PLK1THRBALDH1A1LMNA
SCHEMBL6203734 0.82 ALDH1A1 (0.55) KMT2AL3MBTL1ALDH1A1MEN1LMNA
SCHEMBL2512740 0.81 RAB9A (0.64) KMT2AL3MBTL1MEN1HTTNPC1
SCHEMBL28451172 0.81 L3MBTL1 (0.59) KMT2AL3MBTL1PLK1THRBALDH1A1
SCHEMBL6169033 0.79 RAB9A (0.46) L3MBTL1ALDH1A1LMNAHTTNPC1
SCHEMBL6775249 0.79 NPC1 (0.62) L3MBTL1ALDH1A1NPC1RAB9APOLB

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 KMT2A 4107/4885L3MBTL1 4484/4885PLK1 843/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 KMT2A 3564/4885L3MBTL1 4739/4885PLK1 676/4885

“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.