SCHEMBL6283045

SCHEMBL6283045

Cc1ccc(C(=O)Cc2cccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.58
NAPRT Q6XQN6 1/20 0.57
MMP13 P45452 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
NAMPT P43490 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
GLA P06280 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
ESR1 P03372 1/20 0.50
CYP19A1 P11511 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL11606857 0.92 MMP13 (0.67) IDO1NAPRTMMP13CYP3A4NAMPT
SCHEMBL6280890 0.86 TRPV1 (0.57) IDO1NAPRTNPC1RAB9ACYP1A2
SCHEMBL6280937 0.86 IDO1 (0.56) IDO1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL6784815 0.85 CYP19A1 (0.63) IDO1NAPRTNPC1RAB9ACYP1A2
SCHEMBL1515767 0.85 NAPRT (0.68) IDO1NAPRTNPC1RAB9AL3MBTL1
SCHEMBL6282620 0.84 GAA (0.57) IDO1NAPRTRAB9ACYP1A2CYP3A4
SCHEMBL6201576 0.84 L3MBTL1 (0.65) IDO1NAPRTNPC1RAB9AL3MBTL1
SCHEMBL2511934 0.84 KMT2A (0.55) IDO1NPC1RAB9AL3MBTL1CYP3A4
SCHEMBL29861055 0.84 KMT2A (0.55) IDO1NPC1RAB9AL3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL27958148 0.83 NAPRT (0.66) IDO1NAPRTNPC1RAB9AL3MBTL1

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 IDO1 3933/4885NAPRT 1654/4885MMP13 151/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 IDO1 1026/4885NAPRT 1316/4885MMP13 665/4885

“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.