SCHEMBL12374904

SCHEMBL12374904

CC1COC2C(OC(=O)Oc3ccc([N+](=O)[O-])cc3)COC12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.44
GAA P10253 1/20 0.43
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
HTR2A P28223 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 2/20 0.38
KMT2A Q03164 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL636803 0.87 MAPT (0.48) BCHEGAABCL9CTNNB1HTR2A
SCHEMBL637450 0.87 ALDH1A1 (0.51) BCHEGAABCL9CTNNB1HTR2A
SCHEMBL638378 0.87 ALDH1A1 (0.51) BCHEGAABCL9CTNNB1HTR2A
SCHEMBL637451 0.87 ALDH1A1 (0.51) BCHEGAABCL9CTNNB1HTR2A
SCHEMBL10157792 0.87 ALDH1A1 (0.51) BCHEGAABCL9CTNNB1HTR2A
SCHEMBL13574484 0.87 MAPT (0.48) BCHEGAABCL9CTNNB1HTR2A
SCHEMBL636802 0.87 MAPT (0.48) BCHEGAABCL9CTNNB1HTR2A
SCHEMBL10195517 0.85 BCHE (0.44) BCHEGAABCL9CTNNB1HTR2A
SCHEMBL10194427 0.85 BCHE (0.44) BCHEGAABCL9CTNNB1HTR2A
SCHEMBL22893118 0.83 BCL9 (0.48) GAABCL9CTNNB1HTR2APTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003811-B2 Nitric oxide donor compounds NICOX S.A. (FR) 2011-08-23 US disclosed
US-20110077279-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2011-03-31 US disclosed
US-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-09-30 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 (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-20110077279-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, AGT BCHE 2032/4885GAA 4067/4885BCL9 4339/4885
US-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS1, NOS2 BCHE 951/4885GAA 2529/4885BCL9 3755/4885

“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.