SCHEMBL6283084

SCHEMBL6283084

CCc1ccc(C(=O)Cc2ccncc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
HPGD P15428 3/20 0.51
HTT P42858 2/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 1/20 0.51
NPC1 O15118 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
PLK1 P53350 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP17A1 P05093 1/20 0.44
KMT2A Q03164 2/20 0.43
NAMPT P43490 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
SCHEMBL12566040 0.89 ALDH1A1 (0.61) RAB9AALDH1A1MAPTHPGDHTT
SCHEMBL6283043 0.86 KMT2A (0.57) RAB9AALDH1A1MAPTHPGDHTT
SCHEMBL6203734 0.85 ALDH1A1 (0.55) RAB9AALDH1A1MAPTHPGDGAA
SCHEMBL2512740 0.84 RAB9A (0.64) RAB9AHPGDHTTGAANPC1
SCHEMBL6280945 0.83 ALDH1A1 (0.56) RAB9AALDH1A1HPGDHTTLMNA
SCHEMBL6169033 0.82 RAB9A (0.46) RAB9AALDH1A1MAPTHPGDHTT
SCHEMBL6775249 0.81 NPC1 (0.62) RAB9AALDH1A1MAPTHPGDGAA
SCHEMBL9850669 0.81 L3MBTL1 (0.65) RAB9AALDH1A1MAPTNPC1L3MBTL1
SCHEMBL6282350 0.81 THRA (0.61) ALDH1A1MAPTKMT2A
SCHEMBL6280890 0.80 TRPV1 (0.57) RAB9AALDH1A1NPC1TRPV1SMN1; 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 RAB9A 958/4885ALDH1A1 3345/4885MAPT 2844/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 RAB9A 3305/4885ALDH1A1 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.