SCHEMBL20569459

SCHEMBL20569459

NC1CCCc2cc(NC(=O)O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
NPC1 O15118 10/20 0.42
RAB9A P51151 10/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
ACHE P22303 1/20 0.41
PYGL P06737 1/20 0.41
OPRD1 P41143 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
SCHEMBL3534317 0.87 BAZ2B (0.52) NPC1RAB9ACYP1A2ACHEALDH1A1
SCHEMBL22872917 0.80 NPC1 (0.47) NPC1RAB9AACHE
SCHEMBL30831920 0.80 NPC1 (0.47) NPC1RAB9AACHE
SCHEMBL14117297 0.77 ALDH1A1 (0.54) KMT2AMEN1CYP1A2CYP2C19POLB
SCHEMBL5467633 0.77 ALDH1A1 (0.54) KMT2AMEN1CYP1A2CYP2C19POLB
SCHEMBL610795 0.77 PYGL (0.53) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL4142239 0.76 ACHE (0.46) KMT2ANPC1RAB9AACHEOPRD1
SCHEMBL13499144 0.76 ACHE (0.46) KMT2ANPC1RAB9AACHEOPRD1
Hydrochloric Acid SCHEMBL12505566 0.76 ALDH1A1 (0.53) KMT2AMEN1CYP1A2CYP2C19POLB
Hydrochloric Acid SCHEMBL353579 0.76 ALDH1A1 (0.53) KMT2AMEN1CYP1A2CYP2C19POLB

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-3630759-B1 COMPOUNDS USEFUL AS ION CHANNEL INHIBITORS FOR THE TREATMENT OF CANCER CENTRE NAT RECH SCIENT (FR) 2024-05-01 EP disclosed
US-11932638-B2 Ion channel inhibitor compounds for cancer treatment CENTRE NATIONAL DE LA RECHERCHE SCIENTIFQUE (FR) 2024-03-19 US disclosed
US-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CHU NANTES (FR) 2021-01-14 US disclosed
EP-3630759-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT Centre National De La Recherche Scientifique (FR) 2020-04-08 EP disclosed
WO-2018215557-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-11-29 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-11932638-B2 Ion channel inhibitor compounds for cancer treatment CACNA1E, KCNA1, KCNT1 KMT2A 2663/4885NPC1 531/4885RAB9A 1013/4885
US-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CACNA1E, KCNA1, KCNT1 KMT2A 2663/4885NPC1 531/4885RAB9A 1013/4885

“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.