SCHEMBL6282350

SCHEMBL6282350

CCCCCCc1ccc(C(=O)Cc2ccncc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 11/20 0.61
THRB P10828 11/20 0.61
HAO1 Q9UJM8 1/20 0.57
ALDH1A1 P00352 2/20 0.55
RARB P10826 5/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
RARA P10276 1/20 0.54
MAPT P10636 1/20 0.54
MTOR P42345 1/20 0.54

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 0.94 ALDH1A1 (0.56) THRATHRBHAO1ALDH1A1RARB
SCHEMBL6283043 0.88 KMT2A (0.57) THRATHRBALDH1A1MEN1KMT2A
SCHEMBL10583784 0.85 THRA (0.65) THRATHRBHAO1ALDH1A1RARB
SCHEMBL12563620 0.84 ALDH1A1 (0.67) THRATHRBHAO1ALDH1A1RARB
SCHEMBL4454213 0.84 THRA (0.64) THRATHRBHAO1ALDH1A1RARB
SCHEMBL2349788 0.83 ALDH1A1 (0.65) THRATHRBHAO1ALDH1A1RARB
SCHEMBL11346510 0.83 ESR1 (0.66) THRATHRBHAO1ALDH1A1RARB
SCHEMBL29087838 0.81 ALDH1A1 (0.67) THRATHRBHAO1ALDH1A1RARB
SCHEMBL6283084 0.81 RAB9A (0.56) ALDH1A1KMT2AMAPT
SCHEMBL15921374 0.81 LMNA (0.59) ALDH1A1MEN1KMT2AMAPT

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 THRA 2761/4885THRB 2504/4885HAO1 2698/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 THRA 2613/4885THRB 2370/4885HAO1 2849/4885

“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.