SCHEMBL2522993

SCHEMBL2522993

CCCN(c1ccccc1O)[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
ESR1 P03372 9/20 0.39
TP53 P04637 1/20 0.36
HCAR3 P49019 2/20 0.35
SERPINE1 P05121 1/20 0.34

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
SCHEMBL11148838 0.86 ALDH1A1 (0.35) ESR1TP53HCAR3
SCHEMBL1770692 0.83 ESR1 (0.43) ESR1TP53HCAR3
SCHEMBL8812805 0.80 HSD17B10 (0.43) HCAR3
SCHEMBL5880844 0.77 ALDH1A1 (0.46) ESR1TP53HCAR3
SCHEMBL8975474 0.73 GPR35 (0.36) TP53
SCHEMBL8811691 0.73 TSHR (0.47) HCAR3
SCHEMBL7616291 0.73 GPR35 (0.37)
SCHEMBL5083037 0.72 GPR35 (0.39)
SCHEMBL1837510 0.72 HTR1A (0.48) HTR1AESR1TP53
SCHEMBL5373508 0.71 GPR35 (0.38)

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
EP-2352724-B1 ARYL GUANIDINE F1F0-ATPASE INHIBITORS AND THEIR MEDICAL USE UNIV MICHIGAN (US) 2015-04-22 EP disclosed
US-8497307-B2 Aryl guanidine F1F0-ATPase inhibitors and related methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-07-30 US disclosed
US-20110251200-A1 ARYL GUANIDINE F1F0-ATPASE INHIBITORS AND RELATED METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-13 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 (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-20110251200-A1 ARYL GUANIDINE F1F0-ATPASE INHIBITORS AND RELATED METHODS ATP5F1A, ATP5F1D, ATP5F1B HTR1A 1218/4885ESR1 2049/4885TP53 2191/4885

“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.