SCHEMBL21178158

SCHEMBL21178158

CC(=O)Nc1cc(F)cc(F)c1C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
PLK1 P53350 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
IDO1 P14902 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL30823277 1.00 HDAC1 (0.42) HDAC1HDAC6CA1CA2CA9
SCHEMBL25447294 0.83 NPC1 (0.38) SMN1; SMN2GAARAB9ANPC1PLK1
SCHEMBL8583 0.80 CES2 (0.44) CA1CA2GAARAB9ANPC1
SCHEMBL28892584 0.79 HDAC1 (0.44) HDAC1HDAC6CA1CA2CA9
SCHEMBL30002149 0.79 HDAC1 (0.44) HDAC1HDAC6CA1CA2CA9
SCHEMBL30961678 0.78 CA1 (0.45) HDAC1HDAC6CA1CA2CA9
SCHEMBL20051254 0.78 CA1 (0.45) HDAC1HDAC6CA1CA2CA9
SCHEMBL15233687 0.77 SMN1; SMN2 (0.52) HDAC1HDAC6SMN1; SMN2RAB9ANPC1
SCHEMBL6197701 0.76 LMNA (0.54) HDAC1CA1CA2CA9SMN1; SMN2
SCHEMBL26582848 0.76 RAB9A (0.47) SMN1; SMN2GAARAB9ANPC1ALDH1A1

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
US-12005127-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-06-11 US disclosed
CN-111757876-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2024-03-22 CN disclosed
EP-3740480-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2024-03-06 EP disclosed
EP-3740480-A1 DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2020-11-25 EP disclosed
US-20200353101-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-11-12 US disclosed
US-20200353101-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-11-12 US disclosed
CN-111757876-A DNA-PK inhibitors 沃泰克斯药物股份有限公司 2020-10-09 CN disclosed
WO-2019143678-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-25 WO disclosed
WO-2019143678-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-25 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-20200353101-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK HDAC1 726/4885HDAC6 1347/4885CA1 4706/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK HDAC1 726/4885HDAC6 1347/4885CA1 4706/4885

“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.