SCHEMBL4919965

SCHEMBL4919965

Cc1sc(-c2ccccc2)nc1CC(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
NPC1 O15118 2/20 0.53
NFKB1 P19838 1/20 0.53
STAT1 P42224 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RARA P10276 2/20 0.50
RARB P10826 2/20 0.50
RARG P13631 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.50
PTGDR2 Q9Y5Y4 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.46
TRPM8 Q7Z2W7 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL14736582 0.88 ALDH1A1 (0.50) HPGDNPC1NFKB1STAT1RAB9A
SCHEMBL3537226 0.88 PTGDR2 (0.56) HPGDALDH1A1SMN1; SMN2RARARARB
SCHEMBL10110136 0.86 RARA (0.51) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10165838 0.82 RARA (0.48) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5105903 0.82 GAA (0.64) HPGDNPC1NFKB1RAB9ANFKB2
SCHEMBL6702417 0.80 GAA (0.61) HPGDNPC1NFKB1RAB9ANFKB2
SCHEMBL4034919 0.79 RARA (0.49) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6855065 0.79 HRH3 (0.46) ALDH1A1SMN1; SMN2RARARARBRARG
SCHEMBL14736837 0.78 CDC7 (0.56) HPGDNPC1NFKB1STAT1RAB9A
SCHEMBL7507754 0.77 GAA (0.54) HPGDNPC1NFKB1RAB9ANFKB2

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
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US claimed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 US claimed
EP-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US disclosed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO disclosed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 US disclosed
US-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 US 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
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 2504/4885NPC1 122/4885NFKB1 757/4885
US-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor MCHR1, GPR119, MCHR2 HPGD 2498/4885NPC1 472/4885NFKB1 4248/4885
US-20130059833-A1 PDE10 MODULATORS PDE10A, PDE5A, PDE2A HPGD 1466/4885NPC1 2474/4885NFKB1 2921/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 HPGD 2504/4885NPC1 122/4885NFKB1 757/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 HPGD 2310/4885NPC1 778/4885NFKB1 4410/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 HPGD 2843/4885NPC1 86/4885NFKB1 1214/4885

“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.