SCHEMBL4101103

SCHEMBL4101103

Cc1cccc(NC(=O)C2CCCCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.66
LMNA P02545 1/20 0.66
ALDH1A1 P00352 2/20 0.65
GAA P10253 2/20 0.65
NPC1 O15118 2/20 0.62
TSHR P16473 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.55
HDAC8 Q9BY41 1/20 0.54
USP30 Q70CQ3 1/20 0.53
SIRT2 Q8IXJ6 2/20 0.53
RAB9A P51151 1/20 0.52

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
SCHEMBL23559008 0.97 NPSR1 (0.70) NPSR1LMNAALDH1A1GAANPC1
SCHEMBL3807585 0.88 NPC1 (0.71) NPSR1LMNAALDH1A1NPC1L3MBTL1
SCHEMBL31148147 0.87 NPC1 (0.60) NPSR1LMNAALDH1A1GAANPC1
SCHEMBL23559009 0.87 NPSR1 (0.60) NPSR1LMNAALDH1A1GAANPC1
SCHEMBL23559010 0.87 NPSR1 (0.60) NPSR1LMNAALDH1A1GAANPC1
SCHEMBL23558761 0.86 NPSR1 (0.59) NPSR1LMNAALDH1A1GAANPC1
SCHEMBL2707113 0.85 NPSR1 (0.69) NPSR1LMNAALDH1A1GAANPC1
SCHEMBL2707116 0.85 NPSR1 (0.69) NPSR1LMNAALDH1A1GAANPC1
SCHEMBL15586684 0.85 NPC1 (0.65) NPSR1LMNAALDH1A1GAANPC1
SCHEMBL1752674 0.85 NPC1 (0.65) NPSR1LMNAALDH1A1GAANPC1

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-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 US disclosed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 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 (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-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP NPSR1 853/4885LMNA 567/4885ALDH1A1 1225/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP NPSR1 853/4885LMNA 567/4885ALDH1A1 1225/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP NPSR1 853/4885LMNA 567/4885ALDH1A1 1225/4885

“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.