SCHEMBL6447879

SCHEMBL6447879

O=Cc1ccc(-c2ccc(O)c(C3CCCCC3)c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.42
BACE1 P56817 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CAMKK2 Q96RR4 4/20 0.41
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
THRB P10828 1/20 0.35
RARB P10826 1/20 0.35
FEN1 P39748 2/20 0.35
ALOX5AP P20292 1/20 0.35
CYP11B1 P15538 1/20 0.34
ERN1 O75460 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGS2 P35354 1/20 0.34
RAB9A P51151 1/20 0.34
DGAT1 O75907 3/20 0.34
CAMKK1 Q8N5S9 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL28475060 0.79 HSP90AA1 (0.54) NUDT1BACE1HSP90AA1THRBKDM4E
SCHEMBL6448998 0.78 HSP90AA1 (0.39) HSP90AA1CAMKK2ERN1KDM4EALDH1A1
SCHEMBL6744755 0.78 KDM4E (0.52) NUDT1BACE1HSP90AA1THRBKDM4E
SCHEMBL6449762 0.77 PTGDR2 (0.37) CAMKK2PTGDRPTGDR2FEN1ALOX5AP
SCHEMBL6620084 0.76 HSP90AA1 (0.46) NUDT1BACE1HSP90AA1PTPN2PTGDR
SCHEMBL13038540 0.76 KDM4E (0.53) NUDT1BACE1HSP90AA1THRBKDM4E
SCHEMBL1068254 0.74 NUDT1 (0.57) NUDT1BACE1HSP90AA1CAMKK2PTGDR
SCHEMBL620467 0.72 L3MBTL1 (0.38) KDM4EALDH1A1
SCHEMBL5828388 0.72 RARB (0.56) THRBRARBKDM4EALDH1A1
SCHEMBL8250780 0.71 KDM4E (0.55) NUDT1BACE1HSP90AA1KDM4EPTGS2

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 NUDT1 1157/4885BACE1 3299/4885HSP90AA1 677/4885

“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.