SCHEMBL12673136

SCHEMBL12673136

O=C(Nc1nccs1)c1cccc2[nH]c(-c3ccccc3N3CCOCC3)nc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
FGFR1 P11362 1/20 0.42
GAA P10253 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TRPV4 Q9HBA0 1/20 0.41
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL12673107 0.92 CYP1A2 (0.47) LMNAKDM4ERAB9ANPC1CYP1A2
SCHEMBL12673187 0.91 LMNA (0.48) LMNAKDM4ERAB9ANPC1CYP1A2
SCHEMBL1889605 0.89 LMNA (0.49) LMNAKDM4ERAB9ANPC1ALDH1A1
SCHEMBL12673090 0.86 LMNA (0.51) LMNAKDM4ERAB9ANPC1ALDH1A1
SCHEMBL12673101 0.86 PARP1 (0.47) LMNAKDM4ERAB9ANPC1CYP1A2
SCHEMBL12673371 0.84 LMNA (0.51) LMNAKDM4ERAB9ANPC1ALDH1A1
SCHEMBL12673138 0.83 LMNA (0.55) LMNAKDM4ERAB9ANPC1ALDH1A1
SCHEMBL1898119 0.83 LMNA (0.53) LMNAKDM4ERAB9ANPC1CYP1A2
SCHEMBL1891554 0.83 LMNA (0.47) LMNAKDM4ERAB9ANPC1ALDH1A1
SCHEMBL12673358 0.83 TRPV4 (0.46) LMNAKDM4EMAPK1TRPV4

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 3 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

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 1352/4885RAB9A 1249/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 LMNA 3201/4885KDM4E 1268/4885RAB9A 1407/4885

“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.