SCHEMBL14743197

SCHEMBL14743197

CNc1cccc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
CDC25B P30305 1/20 0.54
TSHR P16473 1/20 0.51
HCAR3 P49019 1/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
POLB P06746 2/20 0.46
AKR1C3 P42330 4/20 0.44
AKR1C2 P52895 4/20 0.44
AKR1B10 O60218 2/20 0.44
AKR1B1 P15121 2/20 0.44
AKR1C1 Q04828 2/20 0.44
AKR1C4 P17516 1/20 0.44
ATM Q13315 1/20 0.43
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 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
SCHEMBL11276543 0.87 CDC25B (0.52) MAPTCDC25BTSHRHCAR3KMT2A
SCHEMBL2656516 0.83 POLB (0.50) MAPTTSHRKMT2AMEN1KDM4E
SCHEMBL9793680 0.83 POLB (0.50) MAPTTSHRKMT2AMEN1KDM4E
SCHEMBL1497989 0.81 TSHR (0.60) MAPTTSHRKMT2AMEN1KDM4E
SCHEMBL28171346 0.79 TSHR (0.58) MAPTTSHRKMT2AMEN1KDM4E
SCHEMBL27771692 0.79 TSHR (0.58) MAPTTSHRKMT2AMEN1KDM4E
SCHEMBL30490414 0.79 TSHR (0.58) MAPTTSHRKMT2AMEN1KDM4E
Ethylene SCHEMBL29290025 0.77 TSHR (0.56) MAPTTSHRKMT2AMEN1KDM4E
SCHEMBL31110244 0.77 HCAR3 (0.55) MAPTTSHRHCAR3KMT2AMEN1
SCHEMBL940162 0.77 ALB (0.55) MAPTTSHRKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453051-B2 Cyclosporin derivatives MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2016-09-27 US disclosed
EP-2751127-B1 CYCLOSPORIN DERIVATIVES MAX PLANCK GES ZUR FÖRDERUNG DER WISSENSCHAFTEN E V (DE) 2016-07-27 EP disclosed
US-20140316104-A1 CYCLOSPORIN DERIVATIVES LEAD DISCOVER CENTER GMBH (DE) 2014-10-23 US disclosed
EP-2751127-A1 CYCLOSPORIN DERIVATIVES Max-Planck-Gesellschaft zur Förderung der Wissenschaften (DE) 2014-07-09 EP disclosed
WO-2013030208-A1 CYCLOSPORIN DERIVATIVES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2013-03-07 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 (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-20140316104-A1 CYCLOSPORIN DERIVATIVES CHP1, RYR2, CANX MAPT 1585/4885CDC25B 920/4885TSHR 4800/4885

“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.