SCHEMBL3293148

SCHEMBL3293148

CCCCCCCCCOc1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.63
HTT P42858 1/20 0.58
CYSLTR2 Q9NS75 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52
TDP1 Q9NUW8 2/20 0.49
CNR1 P21554 1/20 0.48
ACHE P22303 1/20 0.48
CNR2 P34972 1/20 0.48
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL10339898 1.00 CYP19A1 (0.63) CYP19A1HTTCYSLTR2CYSLTR1TDP1
SCHEMBL3296474 1.00 CYP19A1 (0.63) CYP19A1HTTCYSLTR2CYSLTR1TDP1
SCHEMBL4800134 0.98 CYP19A1 (0.61) CYP19A1HTTCYSLTR2CYSLTR1TDP1
SCHEMBL4378454 0.94 HTT (0.61) CYP19A1HTTTDP1MAPTALDH1A1
SCHEMBL11220987 0.91 HTT (0.64) CYP19A1HTTTDP1MAPTALDH1A1
SCHEMBL3294199 0.89 HTT (0.63) CYP19A1HTTTDP1MAPTALDH1A1
SCHEMBL8977128 0.88 TDP1 (0.60) CYP19A1HTTCYSLTR2CYSLTR1TDP1
SCHEMBL9127581 0.88 CYP19A1 (0.66) CYP19A1CYSLTR2CYSLTR1CNR1ACHE
SCHEMBL1609478 0.88 CYP19A1 (0.66) CYP19A1CYSLTR2CYSLTR1CNR1ACHE
SCHEMBL9165752 0.88 CYP19A1 (0.66) CYP19A1CYSLTR2CYSLTR1CNR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741520-B2 Sulfonanilide analogs as selective aromatase modulators (SAMs) THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-06-22 US disclosed
EP-1984325-A2 SULFONANILIDE ANALOGS AS SELECTIVE AROMATASE MODULATORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-10-29 EP disclosed
US-20080045598-A1 Novel sulfonanilide analogs as selective aromatase modulators (SAMs) THE OHIO STATE UNIVERSITY (US) 2008-02-21 US disclosed
WO-2007120379-A2 SULFONANILIDE ANALOGS AS SELECTIVE AROMATASE MODULATORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-10-25 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-20080045598-A1 Novel sulfonanilide analogs as selective aromatase modulators (SAMs) CYP19A1, AR, SULT2A1 CYP19A1 1/4885HTT 3747/4885CYSLTR2 1038/4885

“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.