SCHEMBL6449246

SCHEMBL6449246

O=Cc1ccc(-c2cc3c(c(C45CC6CC(CC(C6)C4)C5)c2)OCO3)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RARB P10826 4/20 0.34
HDAC11 Q96DB2 4/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
DYRK3 O43781 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK4 Q9NR20 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
SCHEMBL405400 0.85 RARB (0.42) ALDH1A1HSD17B10TDP1RARBHDAC11
SCHEMBL6452873 0.83 PTPN11 (0.47) CLK1DYRK1ADYRK2DYRK1BHPGD
SCHEMBL6452882 0.83 PTPN11 (0.47) CLK1DYRK1ADYRK2DYRK1BHPGD
SCHEMBL6620633 0.81 RARB (0.31) ALDH1A1HSD17B10TDP1RARB
SCHEMBL5828810 0.80 RARB (0.44) ALDH1A1HSD17B10TDP1RARBHDAC11
SCHEMBL6448127 0.78 RARB (0.34) RARBHDAC11HDAC2HDAC7HDAC8
SCHEMBL14983850 0.76 CYP3A4 (0.34) RARB
SCHEMBL5828388 0.76 RARB (0.56) ALDH1A1HSD17B10RARBHDAC11HDAC2
SCHEMBL12531294 0.75 RARB (0.47) RARBHDAC11HDAC2HDAC7HDAC8
SCHEMBL6449210 0.74 IKBKB (0.33) RARBHDAC11HDAC2HDAC7HDAC8

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 ALDH1A1 15/4885HSD17B10 203/4885TDP1 1513/4885

“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.