SCHEMBL6280937

SCHEMBL6280937

Cc1cc(C)cc(C(=O)Cc2cccnc2)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.56
NAPRT Q6XQN6 1/20 0.56
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
VNN1 O95497 1/20 0.48
NAMPT P43490 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 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
SCHEMBL3281175 0.88 VNN1 (0.58) IDO1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL6283045 0.86 IDO1 (0.58) IDO1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL31326722 0.82 NAPRT (0.65) IDO1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL17672056 0.82 NAPRT (0.65) IDO1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL1515767 0.80 NAPRT (0.68) IDO1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL6281618 0.80 GAA (0.59) TDP1VNN1NAMPTLMNAMAPT
Hydrochloric Acid SCHEMBL27958148 0.79 NAPRT (0.66) IDO1NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL11606857 0.79 MMP13 (0.67) IDO1NAPRTCYP3A4NAMPTLMNA
SCHEMBL6276721 0.79 IDO1 (0.57) IDO1CYP1A2
SCHEMBL6280890 0.78 TRPV1 (0.57) IDO1NAPRTCYP1A2CYP3A4CYP2C9

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005014532-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO claimed
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 3933/4885NAPRT 1654/4885CYP1A2 3863/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 IDO1 1026/4885NAPRT 1316/4885CYP1A2 1072/4885

“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.