SCHEMBL10352425

SCHEMBL10352425

[C-]#[N+]c1ccc(Oc2cccc(Oc3ccc(Oc4cccc(Oc5ccc(C)c(C#N)c5)n4)s3)n2)cc1[N+]#[C-]

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ F2 P00734 2/20 0.31
▸ F10 P00742 2/20 0.31

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
SCHEMBL10352221 0.92 AR (0.36) ARFFAR4ALDH1A1HPGDKDM4E
SCHEMBL10352424 0.88 AR (0.36) AR
SCHEMBL10352216 0.82 AR (0.34) ARALDH1A1
SCHEMBL10352426 0.81 KDR (0.34) AR
SCHEMBL10352218 0.81 AR (0.34) AR
SCHEMBL10352215 0.79 CYP19A1 (0.47) ARFFAR4ALDH1A1HPGDF2
SCHEMBL10353036 0.78 LMNA (0.41) ARALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL10352797 0.69 MAOB (0.33) ALDH1A1HPGDKDM4EMAPT
SCHEMBL10352210 0.68 ALDH1A1 (0.56) ARALDH1A1HPGDKDM4EF2
SCHEMBL10353035 0.66 CYP19A1 (0.56) ARALDH1A1HPGDKDM4EF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222403-B2 Heteroaromatic phthalonitriles THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2012-07-17 — — US disclosed
US-20110108755-A1 HETEROAROMATIC PHTHALONITRILES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-05-12 — — 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-20110108755-A1 HETEROAROMATIC PHTHALONITRILES ARNT, PBRM1, NR4A1 AR 14/4885FFAR4 4346/4885ALDH1A1 1493/4885

“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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