SCHEMBL5049162

SCHEMBL5049162

C=CCNC(=O)c1cc(-c2csc(COc3ccc(OC)cc3)n2)n(CCc2ccc(OC)cc2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 7/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KLKB1 P03952 2/20 0.39
PKM P14618 1/20 0.39
FFAR1 O14842 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL5039546 0.92 KLKB1 (0.43) KDM4ETDP1MAPTALDH1A1SMN1; SMN2
SCHEMBL5048702 0.91 ALDH1A1 (0.47) KDM4ETDP1MAPTALDH1A1MEN1
SCHEMBL5043835 0.86 PPARD (0.47) KDM4ETDP1MAPTALDH1A1MEN1
SCHEMBL5039634 0.85 MAPT (0.39) KDM4ETDP1MAPTALDH1A1MEN1
SCHEMBL5039254 0.80 KLKB1 (0.44) MAPTALDH1A1SMN1; SMN2PPARDPPARA
SCHEMBL5043612 0.80 PPARD (0.47) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5043301 0.79 KLKB1 (0.53) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL5044942 0.79 HPGD (0.48) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5048731 0.79 ALDH1A1 (0.46) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5039543 0.79 HPGD (0.52) KDM4EMAPTALDH1A1MEN1KMT2A

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
EP-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1583762-A1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US disclosed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 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 (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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R KDM4E 2916/4885TDP1 3018/4885MAPT 3334/4885

“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.