SCHEMBL6282520

SCHEMBL6282520

CC(C)c1cccc(C(=O)Cc2ccncc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.42
ROCK2 O75116 4/20 0.42
ALDH1A1 P00352 4/20 0.41
TP53BP1 Q12888 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
BRAF P15056 1/20 0.40
KAT6A Q92794 1/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
PLOD2 O00469 1/20 0.39
PLOD3 O60568 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PLOD1 Q02809 1/20 0.39

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
SCHEMBL11796971 0.85 RORC (0.52) ALDH1A1TSHRLMNABRAFCYP3A4
SCHEMBL6280928 0.81 USP5 (0.51) CYP19A1ALDH1A1LMNARXRARXRB
SCHEMBL3073424 0.80 NT5E (0.55) ALDH1A1LMNAHPGDMAPTSMN1; SMN2
SCHEMBL6282499 0.79 GRM1 (0.46) ALDH1A1LMNAKAT6ACYP3A4HPGD
SCHEMBL3918379 0.77 MAPT (0.47) ALDH1A1LMNARXRARXRBRXRG
SCHEMBL1156959 0.77 CES2 (0.50) ALDH1A1TSHRLMNACYP3A4HPGD
SCHEMBL2647562 0.77 MTOR (0.48) CYP19A1ALDH1A1LMNACYP3A4HPGD
SCHEMBL1845879 0.77 MAPT (0.49) ALDH1A1TSHRLMNACYP3A4HPGD
SCHEMBL3284705 0.77 KDM4E (0.52) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL2477853 0.77 LMNA (0.54) ROCK2ALDH1A1LMNACYP3A4CYP1A2

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 5 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-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 (1 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-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 CYP19A1 2713/4885ROCK2 224/4885ALDH1A1 3292/4885

“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.