SCHEMBL5039436

SCHEMBL5039436

COCCCn1c(-c2csc(-c3ccc(OC)cc3)n2)cc(C(=O)NCC(C)C)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HPGD P15428 2/20 0.58
MAPT P10636 7/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 2/20 0.51
CRHBP P24387 1/20 0.51
HTT P42858 1/20 0.51
CRHR2 Q13324 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KLKB1 P03952 4/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
IDH1 O75874 2/20 0.43
KDM4E B2RXH2 2/20 0.42
TP53 P04637 4/20 0.41
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
KLK1 P06870 1/20 0.40

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
SCHEMBL5043787 0.95 ALDH1A1 (0.51) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL5044136 0.93 ALDH1A1 (0.54) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL5044164 0.90 KLKB1 (0.51) ALDH1A1HPGDMAPTLMNAKLKB1
SCHEMBL5048647 0.89 ALDH1A1 (0.67) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL5043669 0.89 KLKB1 (0.54) ALDH1A1HPGDMAPTKLKB1NPC1
SCHEMBL5045092 0.88 ALDH1A1 (0.54) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL5044308 0.88 ALDH1A1 (0.54) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL5132199 0.86 MAPT (0.59) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL5048681 0.85 ALDH1A1 (0.61) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL5049135 0.84 ALDH1A1 (0.60) ALDH1A1HPGDMAPTMEN1KMT2A

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 ALDH1A1 959/4885HPGD 2000/4885MAPT 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.