SCHEMBL5044010

SCHEMBL5044010

COc1ccc(Cn2c(-c3csc(-c4ccccc4Cl)n3)cc(C(=O)NCC3CCCCC3)c2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
PPARG P37231 1/20 0.43
KLKB1 P03952 6/20 0.43
POLB P06746 1/20 0.42
CHRM1 P11229 1/20 0.41
CNR1 P21554 2/20 0.41
EIF4E P06730 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
FAAH O00519 2/20 0.39
CNR2 P34972 1/20 0.39
ABHD6 Q9BV23 1/20 0.39
KLK1 P06870 1/20 0.39
EPHX2 P34913 1/20 0.39
NPC1 O15118 1/20 0.39
P2RX7 Q99572 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CRHBP P24387 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
SCHEMBL5043921 0.91 KLKB1 (0.52) ALDH1A1PPARGKLKB1POLBCNR1
SCHEMBL5044134 0.88 CHRM1 (0.45) ALDH1A1PPARGCHRM1CNR1CNR2
SCHEMBL5048566 0.87 KMT2A (0.44) ALDH1A1PPARGKLKB1POLBCHRM1
SCHEMBL5043784 0.87 ALDH1A1 (0.44) ALDH1A1PPARGCHRM1NPC1P2RX7
SCHEMBL5048580 0.86 CHRM1 (0.44) PPARGCHRM1CNR1EIF4ECNR2
SCHEMBL5048709 0.85 HPGD (0.45) ALDH1A1PPARGKLKB1POLBEIF4E
SCHEMBL5049089 0.85 HPGD (0.44) ALDH1A1KLKB1EIF4ENPC1KMT2A
SCHEMBL5043975 0.84 KLKB1 (0.46) ALDH1A1KLKB1POLBEIF4EKLK1
SCHEMBL5047596 0.84 KLKB1 (0.49) ALDH1A1KLKB1POLBKLK1NPC1
SCHEMBL5048619 0.84 ALDH1A1 (0.47) ALDH1A1KLKB1POLBKLK1NPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622573-A4 MOLECULES ENHANCING DERMAL DELIVERY OF INFLUENZA VACCINES BECTON DICKINSON CO (US) 2008-09-10 EP disclosed
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-1622573-A2 MOLECULES ENHANCING DERMAL DELIVERY OF INFLUENZA VACCINES Becton, Dickinson and Company (US) 2006-02-08 EP 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
WO-2005016239-A2 MOLECULES ENHANCING DERMAL DELIVERY OF INFLUENZA VACCINES BECTON DICKINSON AND COMPANY (US) 2005-02-24 WO 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 959/4885PPARG 103/4885KLKB1 3949/4885

“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.