SCHEMBL10353036

SCHEMBL10353036

[C-]#[N+]c1ccc(Oc2cc(Oc3ccc(C)c(C#N)c3)c3ccccc3n2)cc1[N+]#[C-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ AR P10275 3/20 0.36
▸ POLB P06746 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ ACHE P22303 4/20 0.31
▸ BCHE P06276 3/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ MAP2K1 Q02750 1/20 0.31
▸ GAA P10253 1/20 0.30

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 0.84 AR (0.36) L3MBTL1ALDH1A1HPGDARKDM4E
SCHEMBL10352211 0.79 ALDH1A1 (0.55) LMNAL3MBTL1ALDH1A1HPGDAR
SCHEMBL10352425 0.78 AR (0.32) L3MBTL1ALDH1A1HPGDARKDM4E
SCHEMBL10352426 0.77 KDR (0.34) ARSMN1; SMN2RAF1
SCHEMBL10352216 0.76 AR (0.34) ALDH1A1ARSMN1; SMN2RAF1
SCHEMBL10352424 0.71 AR (0.36) AR
SCHEMBL10352215 0.71 CYP19A1 (0.47) ALDH1A1HPGDARPOLBNPSR1
SCHEMBL4271057 0.68 LMNA (0.55) LMNAL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL10352797 0.68 MAOB (0.33) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL10352218 0.65 AR (0.34) AR

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 LMNA 2595/4885L3MBTL1 3368/4885ALDH1A1 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.

Send feedback