SCHEMBL5212645

SCHEMBL5212645

NC(=O)CCc1nc2ccccc2s1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.68
RAB9A P51151 1/20 0.68
HTT P42858 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
ALOX15 P16050 1/20 0.66
KMT2A Q03164 7/20 0.64
MEN1 O00255 6/20 0.64
ALDH1A1 P00352 5/20 0.64
MAPT P10636 7/20 0.62
POLB P06746 4/20 0.62
MAPK1 P28482 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
GAA P10253 1/20 0.60
UBE2T Q9NPD8 1/20 0.57
ASIC3 Q9UHC3 1/20 0.57
LMNA P02545 1/20 0.57
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL5201727 0.92 HTT (0.78) HPGDRAB9AHTTSMN1; SMN2ALOX15
SCHEMBL4703104 0.91 HTT (0.71) HPGDRAB9AHTTSMN1; SMN2ALOX15
SCHEMBL4700801 0.89 HTT (0.69) HPGDRAB9AHTTSMN1; SMN2ALOX15
SCHEMBL1269672 0.85 SMN1; SMN2 (0.82) HPGDRAB9AHTTSMN1; SMN2ALOX15
SCHEMBL8821050 0.84 HPGD (0.68) HPGDRAB9AHTTSMN1; SMN2ALOX15
SCHEMBL11590976 0.84 HPGD (0.68) HPGDRAB9AHTTSMN1; SMN2ALOX15
SCHEMBL77032 0.83 KMT2A (0.68) HPGDRAB9AHTTSMN1; SMN2ALOX15
SCHEMBL7382460 0.81 HPGD (0.65) HPGDRAB9AHTTSMN1; SMN2ALOX15
SCHEMBL19372016 0.80 UBE2T (0.70) HPGDRAB9AHTTSMN1; SMN2ALOX15
SCHEMBL24198740 0.80 HPGD (0.63) HPGDRAB9AHTTSMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546116-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2005-06-29 EP claimed
WO-2004014871-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-02-19 WO claimed
WO-2014067985-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM SCIENCE PARK S.P.A. (IT) 2014-05-08 WO disclosed
WO-2013138753-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2013-09-19 WO disclosed
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
EP-1546116-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2005-06-29 EP disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
WO-2004014871-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-02-19 WO disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO disclosed
EP-0161220-B1 PROCESS FOR THE PREPARATION OF BETA-(BENZOTHIAZOLYLTHIO) AND BETA (BENZIMIDAZOLYLTHIO)CARBOXYLIC-ACID DERIVATIVES CIBA-GEIGY AG (CH) 1991-08-14 EP disclosed
EP-0161220-A2 Process for the preparation of beta-(benzothiazolylthio) and beta (benzimidazolylthio)carboxylic-acid derivatives CIBA-GEIGY AG (CH) 1985-11-13 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 (3 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 HPGD 2504/4885RAB9A 1478/4885HTT 3482/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 HPGD 2504/4885RAB9A 1478/4885HTT 3482/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 HPGD 2843/4885RAB9A 1258/4885HTT 3592/4885

“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.