SCHEMBL984158

SCHEMBL984158

O=C(O)N1CCc2cc(Br)sc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.47
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
NR4A1 P22736 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
ESR2 Q92731 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSP90AA1 P07900 1/20 0.34
DAO P14920 1/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL12810891 0.91 HDAC6 (0.40) HDAC6NPC1RAB9AKCNQ3KCNQ2
SCHEMBL20741820 0.87 HDAC6 (0.47) HDAC6NPC1RAB9AKCNQ3KCNQ2
SCHEMBL28498827 0.81 HDAC6 (0.40) HDAC6NPC1RAB9AKCNQ3KCNQ2
SCHEMBL30861168 0.81 ALDH1A1 (0.56) HDAC6NPC1RAB9AALDH1A1MEN1
SCHEMBL28456877 0.79 HDAC6 (0.43) HDAC6NPC1RAB9AALDH1A1MEN1
SCHEMBL986037 0.79 ESR2 (0.54) HDAC6ESR2
SCHEMBL3652903 0.76 HDAC6 (0.40) HDAC6NPC1RAB9AALDH1A1ESR2
SCHEMBL21411146 0.73 HDAC6 (0.49) HDAC6NPC1RAB9AKCNQ3KCNQ2
SCHEMBL30782328 0.72 HDAC6 (0.54) HDAC6NPC1RAB9AALDH1A1MEN1
SCHEMBL27140541 0.72 HDAC6 (0.40) HDAC6NPC1RAB9AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922430-B 2-substituted benzimidazole-4-formamide compound and preparation method and application thereof 中国科学院上海药物研究所 2020-09-04 CN disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP disclosed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP disclosed
EP-2004625-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Vertex Pharmaceuticals Incorporated (US) 2008-12-24 EP disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 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-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 HDAC6 1571/4885NPC1 1406/4885RAB9A 2113/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 HDAC6 1571/4885NPC1 1406/4885RAB9A 2113/4885

“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.