SCHEMBL16115726

SCHEMBL16115726

O=C(O)C1Cc2cc([N+](=O)[O-])ccc2N1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
GAPDH P04406 1/20 0.46
HSPA1A P0DMV8 1/20 0.46
HSPA8 P11142 1/20 0.46
CD44 P16070 1/20 0.46
MSN P26038 1/20 0.46
PTPN7 P35236 1/20 0.46
EZH2 Q15910 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
PNMT P11086 9/20 0.44
ADRA2A P08913 6/20 0.44
ADRA2B P18089 3/20 0.44
ADRA2C P18825 3/20 0.44
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL10293160 1.00 GAA (0.54) GAAMAPTGAPDHHSPA1AHSPA8
SCHEMBL29697818 1.00 GAA (0.54) GAAMAPTGAPDHHSPA1AHSPA8
SCHEMBL16116108 0.90 GAA (0.55) GAAMAPTGAPDHHSPA1AHSPA8
SCHEMBL30213424 0.90 GAA (0.55) GAAMAPTGAPDHHSPA1AHSPA8
SCHEMBL4537304 0.90 GAA (0.55) GAAMAPTGAPDHHSPA1AHSPA8
SCHEMBL13362053 0.87 SIRT2 (0.43) GAAMAPTGAPDHHSPA1AHSPA8
SCHEMBL28788156 0.83 MAPT (0.46) MAPTSIRT2PNMTADRA2AADRA2B
SCHEMBL20939589 0.83 PNMT (0.43) GAASIRT2PNMTADRA2AADRA2B
SCHEMBL26597092 0.83 MAPT (0.46) MAPTSIRT2PNMTADRA2AADRA2B
SCHEMBL13362052 0.82 SIRT2 (0.47) GAPDHHSPA1AHSPA8CD44MSN

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-10329324-B2 Indoline compounds as granzyme B inhibitors viDA Therapeutics (CA) 2019-06-25 US disclosed
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-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
CN-1558759-A Viral polymerase inhibitors ���ָ����Ӣ��ķ���ô����޹�˾ 2004-12-29 CN 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-20180057528-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, PRF1, CTSB GAA 141/4885MAPT 3993/4885GAPDH 2007/4885
US-10329324-B2 Indoline compounds as granzyme B inhibitors GZMB, PRF1, CTSB GAA 141/4885MAPT 3993/4885GAPDH 2007/4885
US-20160083422-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, PRF1, CTSB GAA 141/4885MAPT 3993/4885GAPDH 2007/4885

“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.