SCHEMBL6282499

SCHEMBL6282499

CCc1cccc(C(=O)Cc2ccncc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
NAMPT P43490 2/20 0.44
RAB9A P51151 1/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
GAA P10253 1/20 0.42
BCL2 P10415 1/20 0.42
KDR P35968 1/20 0.42
PLOD2 O00469 1/20 0.41
PLOD3 O60568 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
PLOD1 Q02809 1/20 0.41

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
SCHEMBL28451876 0.87 GRM1 (0.54) GRM1ALDH1A1RAB9AMAPTGAA
SCHEMBL1845879 0.83 MAPT (0.49) ALDH1A1LMNARAB9AMAPTTP53
SCHEMBL3073424 0.83 NT5E (0.55) ALDH1A1LMNANAMPTRAB9AMAPT
SCHEMBL3891730 0.81 LOXL2 (0.41) GRM1BCL2CYP3A4CYP2D6CYP2C9
SCHEMBL6283084 0.80 RAB9A (0.56) ALDH1A1LMNANAMPTRAB9AMAPT
SCHEMBL25720199 0.80 LMNA (0.62) ALDH1A1LMNARAB9AMAPTCYP3A4
SCHEMBL1156959 0.79 CES2 (0.50) ALDH1A1LMNANAMPTMAPTCYP1A2
SCHEMBL3284705 0.79 KDM4E (0.52) ALDH1A1LMNANAMPTMAPT
SCHEMBL2647562 0.79 MTOR (0.48) ALDH1A1LMNAMAPTGAAPLOD2
SCHEMBL2477853 0.79 LMNA (0.54) ALDH1A1LMNANAMPTRAB9AMAPT

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 6 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-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP 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 GRM1 1125/4885ALDH1A1 3345/4885LMNA 3321/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 GRM1 2051/4885ALDH1A1 3292/4885LMNA 3773/4885

“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.