SCHEMBL12673133

SCHEMBL12673133

O=C(Nc1nccs1)c1cccc2[nH]c(-c3ccnc(N4CCNCC4)c3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PKN1 Q16512 3/20 0.43
PKN2 Q16513 3/20 0.43
RAB9A P51151 2/20 0.42
NMT1 P30419 1/20 0.41
ATR Q13535 1/20 0.41
PARP1 P09874 3/20 0.40
KCNH2 Q12809 1/20 0.40
CYP1A2 P05177 1/20 0.40
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
PRKD3 O94806 1/20 0.39
PRKD1 Q15139 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39

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
SCHEMBL12662045 0.93 KDM4E (0.45) LMNAKDM4EPKN1PKN2RAB9A
SCHEMBL12673138 0.91 LMNA (0.55) LMNAKDM4EPKN1PKN2RAB9A
SCHEMBL12673106 0.88 AURKA (0.50) LMNAKDM4EPKN1PKN2RAB9A
Hydrochloric Acid SCHEMBL1894282 0.87 AURKA (0.49) LMNAKDM4EPKN1PKN2RAB9A
SCHEMBL12673194 0.82 NPC1 (0.44) LMNAKDM4ERAB9APARP1CYP1A2
SCHEMBL12673129 0.82 NPC1 (0.49) LMNAPKN1PKN2RAB9APARP1
SCHEMBL12673311 0.82 PARP1 (0.45) LMNAKDM4EPKN1PKN2RAB9A
SCHEMBL12673308 0.81 PARP1 (0.46) LMNAPKN1PKN2RAB9APARP1
SCHEMBL12673376 0.81 PKN1 (0.65) KDM4EPKN1PKN2RAB9APARP1
SCHEMBL12662160 0.80 PARP1 (0.48) LMNAPKN1PKN2RAB9APARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 EP disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 WO 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 (2 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-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 LMNA 2839/4885KDM4E 1352/4885PKN1 1869/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 LMNA 3201/4885KDM4E 1268/4885PKN1 2208/4885

“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.