SCHEMBL6280945

SCHEMBL6280945

CCCCc1ccc(C(=O)Cc2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
THRA P10827 7/20 0.53
THRB P10828 7/20 0.53
RARB P10826 2/20 0.51
PLK1 P53350 1/20 0.51
TRPV1 Q8NER1 1/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HAO1 Q9UJM8 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 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
SCHEMBL6282350 0.94 THRA (0.61) ALDH1A1THRATHRBRARBHAO1
SCHEMBL6283043 0.90 KMT2A (0.57) ALDH1A1HPGDHSD17B10THRATHRB
SCHEMBL12563620 0.90 ALDH1A1 (0.67) ALDH1A1HPGDHSD17B10THRATHRB
SCHEMBL13746080 0.84 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10THRATHRB
SCHEMBL14664345 0.84 NPC1 (0.63) ALDH1A1HPGDHSD17B10THRATHRB
SCHEMBL6283084 0.83 RAB9A (0.56) ALDH1A1HPGDPLK1TRPV1LMNA
SCHEMBL13959593 0.83 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10THRATHRB
SCHEMBL8561239 0.82 ALDH1A1 (0.66) ALDH1A1HPGDHSD17B10THRATHRB
SCHEMBL17088991 0.82 LMNA (0.65) THRBLMNATSHRSMN1; SMN2NPC1
SCHEMBL11346510 0.79 ESR1 (0.66) ALDH1A1HSD17B10THRATHRBRARB

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 9 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

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 ALDH1A1 3345/4885HPGD 308/4885HSD17B10 4345/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 ALDH1A1 3292/4885HPGD 587/4885HSD17B10 3290/4885

“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.