SCHEMBL5313730

SCHEMBL5313730

CC(=O)O/N=C(/N)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.63
RAB9A P51151 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.62
KMT2A Q03164 8/20 0.60
MAPT P10636 8/20 0.60
MEN1 O00255 6/20 0.59
AHR P35869 1/20 0.59
POLB P06746 2/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 3/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
GAA P10253 1/20 0.55

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
SCHEMBL5313736 1.00 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL17673783 1.00 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL27852524 0.85 MAPK1 (0.58) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL5314839 0.83 MAPT (0.64) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL5314844 0.83 MAPT (0.64) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL5308301 0.83 KMT2A (0.70) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL5308305 0.83 KMT2A (0.70) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL20501863 0.82 MAPT (0.77) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL20501866 0.82 MAPT (0.77) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL16690170 0.81 MAPK1 (0.53) KMT2AMAPTMEN1POLBHTT

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-9260421-B2 Pharmaceutical intermediates and process for the preparation thereof EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2016-02-16 US disclosed
US-20140155614-A1 PHARMACEUTICAL INTERMEDIATES AND PROCESS FOR THE PREPARATION THEREOF EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2014-06-05 US disclosed
US-20070135442-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-06-14 US disclosed
WO-2007053094-A1 CHROMAN COMPOUNDS AS 5 -HTlB ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 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 (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-20070135442-A1 Chroman compounds CYP3A43, CYP2C9, CYP2C8 NPC1 773/4885RAB9A 614/4885SMN1; SMN2 2173/4885
US-20140155614-A1 PHARMACEUTICAL INTERMEDIATES AND PROCESS FOR THE PREPARATION THEREOF TFPI, VKORC1, VKORC1L1 NPC1 3742/4885RAB9A 1386/4885SMN1; SMN2 4226/4885

“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.