SCHEMBL13955949

SCHEMBL13955949

Cc1ccc(N)c(C(=O)c2ccccc2C)c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
NPC1 O15118 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
MAPK13 O15264 5/20 0.52
MAPK12 P53778 5/20 0.52
MAPK11 Q15759 5/20 0.52
MAPK14 Q16539 5/20 0.52
RECQL P46063 1/20 0.47
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL5962865 0.88 MAPT (0.51) MAPTNPC1MAPK1HTTMAPK13
SCHEMBL11753699 0.87 TSHR (0.51) HTTMAPK13MAPK12MAPK11MAPK14
SCHEMBL538169 0.85 GAA (0.59) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL9717019 0.84 MAPK13 (0.55) MAPTNPC1MAPK1HTTMAPK13
SCHEMBL11756227 0.83 MAPK13 (0.53) NPC1HTTMAPK13MAPK12MAPK11
SCHEMBL31696155 0.83 MAPT (0.63) MAPTNPC1MAPK1HTTMAPK13
SCHEMBL3520933 0.83 RECQL (0.71) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2704094 0.83 MAPT (0.54) MAPTNPC1MAPK1HTTRECQL
SCHEMBL9654244 0.83 RECQL (0.71) MAPTNPC1MAPK1HTTMAPK13
SCHEMBL11756492 0.82 CSNK2A1 (0.56) MAPTNPC1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140357611-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR NIH 2014-12-04 US disclosed
US-8722669-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-13 US disclosed
US-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-22 US disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 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 (2 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-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT MAPT 755/4885NPC1 29/4885MAPK1 4633/4885
US-20140357611-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, TYR, HRH2 MAPT 640/4885NPC1 80/4885MAPK1 4010/4885

“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.