SCHEMBL8737109

SCHEMBL8737109

O=[N+]([O-])c1ccc(OCc2ccccc2)c(-c2cccs2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.56
CYP19A1 P11511 11/20 0.56
CYP11B1 P15538 4/20 0.56
CYP11B2 P19099 4/20 0.56
C5AR1 P21730 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.48
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
PPIA P62937 1/20 0.43
CNR1 P21554 1/20 0.42
ACHE P22303 1/20 0.42
CNR2 P34972 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
SCHEMBL6113194 0.85 CYP19A1 (0.53) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL2874685 0.82 PTGDR2 (0.69) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL31418722 0.79 MEN1 (0.70) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL371728 0.79 MEN1 (0.70) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL7825518 0.76 MEN1 (0.67) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL8737543 0.76 MEN1 (0.56) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL11665288 0.75 PTPRC (0.50) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL371744 0.75 MEN1 (0.65) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL15814442 0.75 MEN1 (0.65) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL7654335 0.75 MEN1 (0.65) MEN1KMT2AMAPTCYP19A1CYP11B1

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-8703746-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-04-22 US disclosed
US-8653270-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-02-18 US disclosed
US-20120129813-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. 2012-05-24 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-20120129813-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR1, S1PR3, S1PR2 MEN1 3560/4885KMT2A 4604/4885MAPT 3160/4885

“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.