SCHEMBL12888170

SCHEMBL12888170

CCOC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.71
▸ ALDH1A1 P00352 9/20 0.70
▸ MAPT P10636 3/20 0.70
▸ KMT2A Q03164 1/20 0.70
▸ NPSR1 Q6W5P4 3/20 0.65
▸ PDE7A Q13946 2/20 0.64
▸ NPC1 O15118 1/20 0.62
▸ TP53 P04637 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ HPGD P15428 1/20 0.60
▸ TSHR P16473 4/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ PDE10A Q9Y233 1/20 0.58

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
SCHEMBL6033987 0.88 SMN1; SMN2 (0.75) SMN1; SMN2ALDH1A1MAPTKMT2ANPSR1
SCHEMBL15183921 0.88 PDE7A (0.71) SMN1; SMN2ALDH1A1MAPTKMT2APDE7A
SCHEMBL15179080 0.86 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1MAPTKMT2APDE7A
SCHEMBL18239985 0.78 PDE7A (1.00) SMN1; SMN2ALDH1A1MAPTKMT2APDE7A
SCHEMBL19851100 0.75 TSHR (0.66) SMN1; SMN2ALDH1A1MAPTKMT2ANPSR1
SCHEMBL11435540 0.73 L3MBTL1 (0.71) SMN1; SMN2ALDH1A1MAPTKMT2APDE7A
SCHEMBL18239971 0.73 PDE7A (1.00) SMN1; SMN2ALDH1A1MAPTKMT2APDE7A
SCHEMBL1129585 0.73 PDE7A (0.73) SMN1; SMN2ALDH1A1MAPTPDE7ATP53
Methaqualone SCHEMBL29064194 0.72 ALDH1A1 (0.94) SMN1; SMN2ALDH1A1KMT2ANPSR1PDE7A
SCHEMBL19403443 0.72 PSMD14 (0.75) SMN1; SMN2ALDH1A1MAPTKMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888332-B2 Hydrazide-containing CFTR inhibitor compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-02-15 — — US disclosed
US-20090048207-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-19 — — US disclosed
US-7414037-B2 cystic fibrosis transmembrane conductance regulator protein inhibitor; 2-naphthalenylamino-[(3,5-dibromo-2,4-dihydroxyphenyl)methylene][3-[4-(3-(PEG)n-thioureido)diphenyl)-thioureido]propanedioic acid dihydrazide (MalH-(PEG)nB); cystic fibrosis with forms of male infertility, secretory diarrhea THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-08-19 — — US 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-20090048207-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, ABCC5, SLC9A5 SMN1; SMN2 3881/4885ALDH1A1 1636/4885MAPT 4818/4885

“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.

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