SCHEMBL6276599

SCHEMBL6276599

COc1cccc(C(=O)Cc2cccnc2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.59
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CYP1A1 P04798 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP1B1 Q16678 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
TSHR P16473 1/20 0.54
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
ABCB1 P08183 1/20 0.52
PTAFR P25105 1/20 0.52
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL1515837 0.89 SMN1; SMN2 (0.57) IDO1ALDH1A1MEN1KMT2ATDP1
SCHEMBL6280463 0.85 GAA (0.65) IDO1KMT2ACYP1A1CYP1A2CYP1B1
SCHEMBL2477853 0.85 LMNA (0.54) ALDH1A1KMT2ACYP1A2SMN1; SMN2CYP3A4
SCHEMBL1515775 0.83 MEN1 (0.61) MEN1KMT2ATDP1SMN1; SMN2RAB9A
SCHEMBL3281175 0.82 VNN1 (0.58) IDO1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL11606129 0.81 GAA (0.61) IDO1ALDH1A1KMT2ACYP1A1CYP1A2
SCHEMBL6276143 0.81 ALDH1A1 (0.67) IDO1ALDH1A1MEN1KMT2ACYP1A1
Hydrochloric Acid SCHEMBL11477025 0.81 HCRTR1 (0.60) ALDH1A1MEN1KMT2ATDP1CYP1A1
SCHEMBL27572327 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL17672056 0.79 NAPRT (0.65) IDO1ALDH1A1MEN1KMT2ATDP1

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 IDO1 3933/4885ALDH1A1 3345/4885MEN1 4508/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 IDO1 1026/4885ALDH1A1 3292/4885MEN1 3920/4885

“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.