SCHEMBL10069211

SCHEMBL10069211

CC[n+]1c(/C=C/c2ccc(-n3ccnc3)cc2)cccc1/C=C/c1ccc(-n2ccnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.51
▸ ESR1 P03372 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MITF O75030 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PDE3B Q13370 3/20 0.44
▸ PDE3A Q14432 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP17A1 P05093 2/20 0.43

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
SCHEMBL10069208 0.86 MAOB (0.46) MAOBESR1MEN1KMT2AMAPT
SCHEMBL13822181 0.85 PDE3B (0.49) MAOBESR1MEN1KMT2AMAPT
SCHEMBL13127033 0.84 MAOB (0.43) MAOBESR1MEN1KMT2AMAPT
SCHEMBL10068872 0.83 INSR (0.44) MAOBMEN1KMT2AMAPTKDM4E
SCHEMBL8392726 0.77 CYP3A4 (0.69) MAOBESR1MEN1KMT2AMAPT
SCHEMBL2604923 0.77 CYP3A4 (0.69) MAOBESR1MEN1KMT2AMAPT
SCHEMBL13126938 0.75 CYP3A4 (0.51) MAOBMEN1KMT2AMAPTPDE3B
Stilbazium SCHEMBL710325 0.74 MAPT (0.44) ESR1MEN1KMT2AMAPTKDM4E
Stilbazium SCHEMBL710326 0.74 MAPT (0.44) ESR1MEN1KMT2AMAPTKDM4E
SCHEMBL10069215 0.73 MEN1 (0.42) MEN1KMT2AMAPTKDM4EALDH1A1

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-8124626-B2 Methods of treating inflammations and infections with pyridinium salts MYCOSOL, INC. (US) 2012-02-28 — — US disclosed
US-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS MYCOSOL, INC. 2007-09-13 — — US disclosed
US-7220761-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2007-05-22 — — 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-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS BLVRB, PNPO, PLPBP MAOB 102/4885ESR1 4858/4885MEN1 353/4885

“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.

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