SCHEMBL12662006

SCHEMBL12662006

O=C(Nc1cccc2[nH]c(-c3ccc(Cl)cc3C(F)(F)F)nc12)c1cnccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ TRPV1 Q8NER1 2/20 0.43
▸ ALOX15 P16050 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ BRAF P15056 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ KDR P35968 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
SCHEMBL12662004 0.90 PARP1 (0.46) MEN1KMT2ATRPV1HDAC6PARP1
SCHEMBL12661885 0.90 PARP1 (0.53) SMN1; SMN2MCL1MEN1KMT2ATRPV1
SCHEMBL12662009 0.87 CLK2 (0.51) SMN1; SMN2MEN1KMT2ATRPV1TSHR
SCHEMBL12661941 0.86 SMN1; SMN2 (0.44) SMN1; SMN2MCL1MEN1KMT2ATRPV1
SCHEMBL12662003 0.85 TRPV1 (0.43) MEN1KMT2ATRPV1HDAC3HDAC6
SCHEMBL12673172 0.81 PARP1 (0.54) SMN1; SMN2MCL1ALOX15TSHRALDH1A1
SCHEMBL12661879 0.80 PARP1 (0.57) SMN1; SMN2KMT2ATRPV1TSHRHDAC3
SCHEMBL12029302 0.78 SMN1; SMN2 (0.53) SMN1; SMN2MCL1MEN1KMT2AALOX15
SCHEMBL12673330 0.78 KCNMA1 (0.52) MEN1KMT2APARP1BRAF
SCHEMBL12673080 0.77 PARP1 (0.51) SMN1; SMN2ALOX15TSHRALDH1A1PARP1

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 5 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-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
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 SMN1; SMN2 2090/4885MCL1 315/4885MEN1 4039/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 SMN1; SMN2 2143/4885MCL1 261/4885MEN1 3749/4885

“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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