SCHEMBL19355233

SCHEMBL19355233

CNCCC1CCCCCCCC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.68
CYP1A2 P05177 1/20 0.48
EPHX1 P07099 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.39
KDM1A O60341 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
HPGD P15428 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
SCHEMBL16520915 1.00 SIGMAR1 (0.68) SIGMAR1CYP1A2EPHX1MEN1KMT2A
SCHEMBL22838527 1.00 SIGMAR1 (0.68) SIGMAR1CYP1A2EPHX1MEN1KMT2A
SCHEMBL22341229 1.00 SIGMAR1 (0.68) SIGMAR1CYP1A2EPHX1MEN1KMT2A
SCHEMBL629800 1.00 SIGMAR1 (0.68) SIGMAR1CYP1A2EPHX1MEN1KMT2A
SCHEMBL22520986 1.00 SIGMAR1 (0.68) SIGMAR1CYP1A2EPHX1MEN1KMT2A
Hydrochloric Acid SCHEMBL2192001 0.97 SIGMAR1 (0.65) SIGMAR1CYP1A2EPHX1MEN1KMT2A
SCHEMBL1680312 0.97
SCHEMBL919693 0.92
Methylamine SCHEMBL28480964 0.90 SIGMAR1 (0.57) SIGMAR1CYP1A2EPHX1MEN1KMT2A
SCHEMBL17919936 0.86 SIGMAR1 (0.50) SIGMAR1CYP1A2EPHX1MEN1KMT2A

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
EP-2941423-B1 DEOXYURIDINE TRIPHOSPHATASE INHIBITORS UNIV SOUTHERN CALIFORNIA (US) 2021-06-09 EP disclosed
US-10391095-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-27 US disclosed
US-9878993-B2 DNA-PK inhibitors for treatment of cancer VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-01-30 US disclosed
US-20170258789-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-14 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-20170258789-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK SIGMAR1 4343/4885CYP1A2 2215/4885EPHX1 3247/4885
US-10391095-B2 DNA-PK inhibitors POLK, DTYMK, DCK SIGMAR1 4343/4885CYP1A2 2215/4885EPHX1 3247/4885

“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.