SCHEMBL16135451

SCHEMBL16135451

CCOC(=O)[C@@H]1Cc2ccc([N+](=O)[O-])cc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ADRA2A P08913 1/20 0.45
PNMT P11086 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CACNA1C Q13936 5/20 0.42
CACNA1F O60840 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42

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
SCHEMBL27693463 1.00 MAPT (0.46) MAPTADRA2APNMTADRA2BADRA2C
SCHEMBL17614903 0.91 MAPT (0.46) MAPTADRA2APNMTADRA2BADRA2C
SCHEMBL10293181 0.91 MAPT (0.46) MAPTADRA2APNMTADRA2BADRA2C
SCHEMBL3417137 0.86 MAPT (0.47) MAPTADRA2APNMTADRA2BADRA2C
SCHEMBL13224204 0.86 MAPT (0.47) MAPTADRA2APNMTADRA2BADRA2C
SCHEMBL7439144 0.83 TDP1 (0.50) TDP1
SCHEMBL11030539 0.83 PNMT (0.62) ADRA2APNMTADRA2BADRA2C
SCHEMBL11725913 0.83 PNMT (0.62) ADRA2APNMTADRA2BADRA2C
SCHEMBL15630433 0.83 PNMT (0.55) MAPTADRA2APNMTADRA2BADRA2C
SCHEMBL8566956 0.82 MAPT (0.49) MAPTADRA2APNMTADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057528-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2018-03-01 US disclosed
US-9605021-B2 Indoline compounds as granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2017-03-28 US disclosed
US-9605021-B2 Indoline compounds as granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2017-03-28 US disclosed
US-20160083422-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2016-03-24 US disclosed
US-20160083422-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2016-03-24 US disclosed
WO-2014153667-A1 COSMETIC USES AND METHODS FOR INDOLINE GRANZYME B INHIBITOR COMPOSITIONS VIDA THERAPEUTICS, INC. (CA) 2014-10-02 WO disclosed
WO-2014153666-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS, INC. (CA) 2014-10-02 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-20180057528-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, PRF1, CTSB MAPT 3993/4885ADRA2A 2260/4885PNMT 2570/4885
US-20160083422-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, PRF1, CTSB MAPT 3993/4885ADRA2A 2260/4885PNMT 2570/4885

“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.