SCHEMBL13779317

SCHEMBL13779317

N=c1sccn1CC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.65
▸ NPC1 O15118 3/20 0.65
▸ KDM4E B2RXH2 2/20 0.56
▸ NR2F2 P24468 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ SMN1; SMN2 Q16637 6/20 0.52
▸ MGAM O43451 1/20 0.46
▸ AMY1A P0DUB6 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PTPN1 P18031 1/20 0.45
▸ GSK3B P49841 1/20 0.45

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
Bromide SCHEMBL3899672 0.81 NPC1 (0.75) RAB9ANPC1KDM4EALDH1A1MEN1
SCHEMBL18313849 0.78 KDM4E (0.60) RAB9ANPC1KDM4ENR2F2ALDH1A1
SCHEMBL3886114 0.74 SMN1; SMN2 (0.54) RAB9ANPC1KDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL14119393 0.73 SMN1; SMN2 (0.56) RAB9ANPC1KDM4EALDH1A1MEN1
Bromide SCHEMBL9517907 0.73 NPC1 (0.55) RAB9ANPC1KDM4EALDH1A1MEN1
SCHEMBL20042582 0.73 SMN1; SMN2 (0.56) RAB9ANPC1KDM4ENR2F2ALDH1A1
SCHEMBL29520514 0.73 KDM4E (0.97) RAB9ANPC1KDM4ENR2F2ALDH1A1
SCHEMBL3006822 0.71 KMT2A (0.52) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL7122888 0.70 NPC1 (0.55) RAB9ANPC1KDM4EALDH1A1MEN1
SCHEMBL17830465 0.69 MAPT (0.53) RAB9ANPC1KDM4ENR2F2ALDH1A1

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-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction FORSCHUNGSVERBUND BERLIN E.V. (DE) 2009-07-09 — — US disclosed
US-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction FORSCHUNGSVERBUND BERLIN E.V. (DE) 2009-07-09 — — 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-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction PRKCH, AIP, PRKCE RAB9A 959/4885NPC1 1716/4885KDM4E 2954/4885

“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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