SCHEMBL1229622

SCHEMBL1229622

CNC(=O)c1ccncc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
GAA P10253 2/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL11723871 0.84 HTT (0.47) HTTSMN1; SMN2GAANCOA1NCOA3
SCHEMBL12672297 0.81 HTT (0.45) HTTSMN1; SMN2GAANCOA1NCOA3
SCHEMBL11724081 0.81 ALDH1A1 (0.52) HTTSMN1; SMN2GAANCOA1NCOA3
SCHEMBL11722567 0.81 HTT (0.44) HTTSMN1; SMN2GAANCOA1NCOA3
SCHEMBL2747914 0.81 ALDH1A1 (0.57) HTTSMN1; SMN2GAANCOA1NCOA3
SCHEMBL1231890 0.80 KDM4C (0.52) HTTSMN1; SMN2GAANCOA1NCOA3
SCHEMBL4444121 0.80 KDM4C (0.52) HTTSMN1; SMN2GAANCOA1NCOA3
SCHEMBL7455764 0.79 HTT (0.48) HTTSMN1; SMN2GAANCOA1NCOA3
SCHEMBL11721147 0.79 HTT (0.45) HTTSMN1; SMN2GAANCOA1NCOA3
SCHEMBL11725945 0.79 LMNA (0.49) HTTSMN1; SMN2GAANCOA1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580439-B2 Inhibitors of focal adhesion kinase THE SCRIPPS RESEARCH INSTITUTE (US) 2017-02-28 US disclosed
EP-2727909-A1 Inhibitors of focal adhesion kinase THE SCRIPPS RESEARCH INSTITUTE (US) 2014-05-07 EP disclosed
EP-2134689-B1 INHIBITORS OF FOCAL ADHESION KINASE SCRIPPS RESEARCH INST (US) 2014-04-23 EP disclosed
CN-103588704-A Inhibitors of focal adhesion kinase SCRIPPS RESEARCH INST 2014-02-19 CN disclosed
US-20130281443-A1 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-24 US disclosed
US-8501763-B2 Inhibitors of focal adhesion kinase THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-06 US disclosed
CN-102666540-A Fused azine derivatives for the treatment of acetylcholine receptor related diseases MSD OSS BV 2012-09-12 CN disclosed
US-20110046121-A1 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2011-02-24 US disclosed
CN-101679264-A inhibitors of focal adhesion kinase SCRIPPS RESEARCH INST 2010-03-24 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 (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-20110046121-A1 INHIBITORS OF FOCAL ADHESION KINASE PTK2, CABLES1, TNK2 HTT 4542/4885SMN1; SMN2 2953/4885GAA 3211/4885
US-20130281443-A1 INHIBITORS OF FOCAL ADHESION KINASE PTK2, CABLES1, TNK2 HTT 4542/4885SMN1; SMN2 2953/4885GAA 3211/4885

“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.