SCHEMBL10352426

SCHEMBL10352426

[C-]#[N+]c1ccc(Oc2cc(Oc3ccc(C)c(C#N)c3)ncn2)cc1[N+]#[C-]

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.34
▸ DRD1 P21728 3/20 0.33
▸ AR P10275 7/20 0.32
▸ RAF1 P04049 2/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ CASP3 P42574 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ SENP8 Q96LD8 1/20 0.30
▸ SENP7 Q9BQF6 1/20 0.30
▸ SENP6 Q9GZR1 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL10352216 0.95 AR (0.34) KDRDRD1ARRAF1CYP19A1
SCHEMBL10352221 0.88 AR (0.36) ARCYP19A1SMN1; SMN2
SCHEMBL10352425 0.81 AR (0.32) AR
SCHEMBL21610164 0.78 KDR (0.36) KDRDRD1ARRAF1CYP19A1
SCHEMBL10352797 0.78 MAOB (0.33) —
SCHEMBL10353036 0.77 LMNA (0.41) ARRAF1SMN1; SMN2
SCHEMBL10352424 0.76 AR (0.36) ARCYP19A1
SCHEMBL10352806 0.74 CYP19A1 (0.51) KDRDRD1ARCYP19A1SMN1; SMN2
SCHEMBL10352215 0.73 CYP19A1 (0.47) ARCYP19A1SMN1; SMN2
SCHEMBL10352218 0.70 AR (0.34) ARCYP19A1

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 KDR 2709/4885DRD1 606/4885AR 14/4885

“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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