SCHEMBL18343545

SCHEMBL18343545

CCCCN(CCCC)CC(O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP51A1 Q16850 3/20 0.37
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KMO O15229 1/20 0.32

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
SCHEMBL12702313 0.74 KCNH2 (0.42) KCNH2CACNA1FCACNA1DSLC6A3CACNA1S
SCHEMBL14907396 0.73 PPARA (0.42) KCNH2CYP51A1MEN1KMT2A
SCHEMBL12702522 0.72 KCNH2 (0.36) KCNH2CACNA1FCACNA1DSLC6A3CACNA1S
SCHEMBL30463341 0.71 MYC (0.40) LMNACYP1A2CYP2D6MAPK1HTT
SCHEMBL14907392 0.69 FABP4 (0.40) CYP1A2CYP2D6FABP4FABP5MAPK1
SCHEMBL12702319 0.68 KCNH2 (0.38) KCNH2CACNA1FCACNA1DSLC6A3CACNA1S
SCHEMBL14907388 0.67 DHODH (0.46) CYP1A2CYP2D6MEN1KMT2AKMO
SCHEMBL14907446 0.66 DHODH (0.46) CYP1A2CYP2D6MEN1KMT2AKMO
SCHEMBL14907385 0.64 PPARA (0.45) CYP1A2CYP2D6MAPK1MEN1KMT2A
SCHEMBL13017351 0.63 CRHR1 (0.42) KCNH2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10835524-B2 Compositions for the treatment of pancreatic cancer and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-11-17 US claimed
US-10835524-B2 Compositions for the treatment of pancreatic cancer and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-11-17 US disclosed
US-20180177776-A1 COMPOSITIONS FOR THE TREATMENT OF CANCER AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION INCORPORATED (US) 2018-06-28 US disclosed
WO-2016209688-A1 COMPOSITIONS FOR THE TREATMENT OF CANCER AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2016-12-29 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-10835524-B2 Compositions for the treatment of pancreatic cancer and uses thereof PIK3CA, MTOR, PIK3CD KCNH2 4461/4885CACNA1F 4766/4885CACNA1D 4748/4885
US-20180177776-A1 COMPOSITIONS FOR THE TREATMENT OF CANCER AND USES THEREOF PIK3CA, MTOR, PIK3CD KCNH2 4605/4885CACNA1F 4793/4885CACNA1D 4792/4885

“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.