SCHEMBL6453592

SCHEMBL6453592

Cc1nc2cc(C34CC5CC(CC(C5)C3)C4)cc(-c3cccc(C=O)c3)c2o1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
KCNA3 P22001 2/20 0.34
ALDH1A1 P00352 2/20 0.32
NPY5R Q15761 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
NUDT1 P36639 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL6452478 0.89 KCNA3 (0.34) BRD4KCNA3ALDH1A1KDM4EMEN1
SCHEMBL6449195 0.84 PTPN11 (0.47) MEN1POLBKMT2A
SCHEMBL6449197 0.84 PTPN11 (0.47) MEN1POLBKMT2A
SCHEMBL6452220 0.82 BRD4 (0.36) BRD4KCNA3ALDH1A1HTTKDM4E
SCHEMBL6459639 0.82 NAT1 (0.46) MEN1NPC1KMT2A
SCHEMBL6459642 0.82 NAT1 (0.46) MEN1NPC1KMT2A
SCHEMBL6448172 0.77 PTPN11 (0.49) HTTNPC1
SCHEMBL6448177 0.77 PTPN11 (0.49) HTTNPC1
SCHEMBL6448239 0.74 RARB (0.39) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6447869 0.74 NAT1 (0.43) MEN1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014767-A1 Benzoxazole, benzothiazole, and benzimidazole derivatives for the treatment of cancer and other diseases INCYTE CORPORATION 2005-01-20 US disclosed
WO-2004066952-A2 BENZOXAZOLE, BENZOTHIAZOLE, AND BENZIMIDAZOLE DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER DISEASES INCYTE CORPORATION (US) 2004-08-12 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 (1 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-20050014767-A1 Benzoxazole, benzothiazole, and benzimidazole derivatives for the treatment of cancer and other diseases AR, CCNT1, BRD1 BRD4 72/4885KCNA3 1674/4885ALDH1A1 15/4885

“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.