SCHEMBL5200455

SCHEMBL5200455

Cc1ccc(C(=O)N2CC2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
GAA P10253 4/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PKM P14618 2/20 0.53
HPGD P15428 2/20 0.53
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
SMO Q99835 1/20 0.46
PDK2 Q15119 2/20 0.46
PDK1 Q15118 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46

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
SCHEMBL17098969 0.92 GAA (0.60) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL13243246 0.82 HPGD (0.52) GAAKMT2AHPGDL3MBTL1LMNA
SCHEMBL3901950 0.82 GAA (0.51) GAAMEN1KMT2AHPGDCES2
SCHEMBL27477099 0.82 GAA (0.51) ALDH1A1GAAKMT2AMAPTHPGD
SCHEMBL3888129 0.82 SLC6A7 (0.57) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL26835550 0.82 L3MBTL1 (0.59) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL252505 0.82 ACHE (0.55) ALDH1A1GAASMN1; SMN2HPGDHTT
SCHEMBL10938522 0.80 ACHE (0.53) ALDH1A1GAASMN1; SMN2HPGDHTT
SCHEMBL3890994 0.80 ALDH1A1 (0.59) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL3890041 0.79 DRD3 (0.63) ALDH1A1GAAMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199124-B2 JNK inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-03 US disclosed
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
US-20040063946-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 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-1364949-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2003-11-26 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 (3 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 3345/4885GAA 2036/4885MEN1 4508/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 ALDH1A1 3292/4885GAA 2982/4885MEN1 3920/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 ALDH1A1 2596/4885GAA 4207/4885MEN1 3169/4885

“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.