SCHEMBL5045853

SCHEMBL5045853

C=CCNC(=O)c1cc(-c2csc(-c3ccccc3Cl)n2)n(CCOC)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
IDH1 O75874 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 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
SCHEMBL5048709 0.87 HPGD (0.45) HPGDSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL5047756 0.84 HTR2A (0.44) HPGDSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL5044134 0.84 CHRM1 (0.45) MEN1KMT2APPARGMAPTLMNA
SCHEMBL5043784 0.80 ALDH1A1 (0.44) HPGDMEN1KMT2APPARGMAPT
SCHEMBL5044987 0.79 HTR2A (0.47) HPGDLMNAIDH1ALDH1A1
SCHEMBL5048649 0.78 IDH1 (0.49) HPGDSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL5043301 0.76 KLKB1 (0.53) HPGDSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL5039543 0.76 HPGD (0.52) HPGDSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL5044314 0.75 IDH1 (0.46) SMN1; SMN2KMT2ACYP2C19MAPTLMNA
SCHEMBL5049089 0.74 HPGD (0.44) HPGDSMN1; SMN2KMT2ARAB9ANPC1

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 HPGD 2000/4885SMN1; SMN2 3330/4885MEN1 2160/4885

“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.