SCHEMBL17522751

SCHEMBL17522751

CCCN(CO)c1ccc(/N=N/c2nc3ccc([N+](=O)[O-])cc3s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
INSR P06213 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 2/20 0.44
APP P05067 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RIPK1 Q13546 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DYRK1A Q13627 1/20 0.42
PDK1 Q15118 1/20 0.41
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL22853482 0.92 MAPT (0.47) MAPTINSRSMN1; SMN2HTTKMT2A
SCHEMBL9310865 0.88 MAPT (0.51) MAPTINSRSMN1; SMN2HTTKMT2A
SCHEMBL9309167 0.88 MAPT (0.51) MAPTINSRSMN1; SMN2HTTKMT2A
SCHEMBL18194201 0.88 MAPT (0.41) MAPTINSRSMN1; SMN2HTTKMT2A
SCHEMBL2770177 0.84 MAPT (0.46) MAPTINSRSMN1; SMN2HTTKMT2A
SCHEMBL2770179 0.84 MAPT (0.46) MAPTINSRSMN1; SMN2HTTKMT2A
SCHEMBL24046701 0.84 MAPT (0.50) MAPTINSRSMN1; SMN2HTTKMT2A
SCHEMBL24046663 0.82 MAPT (0.67) MAPTINSRSMN1; SMN2HTTKMT2A
SCHEMBL21357710 0.82 MAPT (0.44) MAPTINSRSMN1; SMN2HTTKMT2A
Bromide SCHEMBL3196350 0.82 MAPT (0.44) MAPTINSRSMN1; SMN2HTTKMT2A

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-20180187009-A1 COMPOSITIONS INCLUDING A POLYTHIOL, AN UNSATURATED COMPOUND, AND A DYE AND METHODS RELATING TO SUCH COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-07-05 US disclosed
US-9772321-B2 Benzothiazol-2-ylazo-phenyl compound as dye, compositions including the dye, and method of determining degree of cure of such compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-09-26 US disclosed
US-20160319106-A1 COMPOSITIONS INCLUDING A POLYTHIOL, AN UNSATURATED COMPOUND, AND A DYE AND METHODS RELATING TO SUCH COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2016-11-03 US disclosed
US-20160041143-A1 BENZOTHIAZOL-2-YLAZO-PHENYL COMPOUND AS DYE, COMPOSITIONS INCLUDING THE DYE, AND METHOD OF DETERMINING DEGREE OF CURE OF SUCH COMPOSITIONS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2016-02-11 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-20160319106-A1 COMPOSITIONS INCLUDING A POLYTHIOL, AN UNSATURATED COMPOUND, AND A DYE AND METHODS RELATING TO SUCH COMPOSITIONS C9, C5, PUF60 MAPT 326/4885INSR 4021/4885SMN1; SMN2 1543/4885

“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.