SCHEMBL5363673

SCHEMBL5363673

N#Cc1ccc2cccc(NC(=O)OCc3ccccc3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.65
MAOB P27338 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TRPV1 Q8NER1 10/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
MGLL Q99685 1/20 0.46
CASP3 P42574 1/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
LMNA P02545 1/20 0.45
PTPN1 P18031 1/20 0.43

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
SCHEMBL10209834 0.80 RAB9A (0.51) PLAUMAOBNPC1RAB9AMGLL
SCHEMBL14867133 0.78 MGLL (0.67) NPC1RAB9AALDH1A1MGLLLMNA
SCHEMBL18685311 0.77 NPC1 (0.48) PLAUMAOBNPC1RAB9AALDH1A1
SCHEMBL4019890 0.76 TRPV1 (0.74) TRPV1LMNA
SCHEMBL5368850 0.76 PLAU (0.61) PLAUMAOBNPC1RAB9ATRPV1
SCHEMBL21987017 0.75 PLAU (0.60) PLAUMAOBNPC1RAB9ATRPV1
SCHEMBL21987006 0.74 LMNA (0.59) PLAUMAOBNPC1RAB9ATRPV1
SCHEMBL14974717 0.74 ALDH1A1 (0.63) PLAUMAOBNPC1RAB9ATRPV1
SCHEMBL6066035 0.73 TRPV1 (0.69) TRPV1LMNA
SCHEMBL9983436 0.73 NPC1 (0.63) PLAUMAOBNPC1RAB9ATRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
US-7160888-B2 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT COMPANY LLC (US) 2007-01-09 US disclosed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
US-20050143317-A1 Compounds and methods for treatment of thrombosis EXITHERA PHARMACEUTICALS LLC 2005-06-30 US disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO disclosed
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2005-02-24 US disclosed
WO-2004103270-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS SUNTORY PHARMACEUTICAL RESEARCH LABORATORIES LLC (US) 2004-12-02 WO disclosed
WO-2004089297-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS SUNTORY PHARMACEUTICAL RESEARCH LABORATORIES, LLC (US) 2004-10-21 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 (4 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-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 PLAU 4697/4885MAOB 92/4885NPC1 1164/4885
US-20050143317-A1 Compounds and methods for treatment of thrombosis SERPINC1, F11, F13B PLAU 28/4885MAOB 539/4885NPC1 2374/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 PLAU 4697/4885MAOB 92/4885NPC1 1164/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 PLAU 4697/4885MAOB 92/4885NPC1 1164/4885

“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.