SCHEMBL6449210

SCHEMBL6449210

Cc1nc2cc(-c3ccc(C=O)cn3)cc(C34CC5CC(CC(C5)C3)C4)c2o1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.33
RARB P10826 3/20 0.33
HDAC11 Q96DB2 4/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
PTPN11 Q06124 4/20 0.32
NR0B2 Q15466 2/20 0.32
HDAC1 Q13547 1/20 0.31
RARG P13631 2/20 0.30
RARA P10276 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
SCHEMBL6448239 0.87 RARB (0.39) RARBHDAC11HDAC2HDAC7HDAC8
SCHEMBL6457169 0.85 RARB (0.33) IKBKBRARBHDAC11HDAC2HDAC7
SCHEMBL6448147 0.84 PTPN11 (0.47) PTPN11
SCHEMBL6448150 0.84 PTPN11 (0.47) PTPN11
SCHEMBL6452220 0.82 BRD4 (0.36) RARBHDAC11HDAC2HDAC7HDAC8
SCHEMBL6448127 0.82 RARB (0.34) IKBKBRARBHDAC11HDAC2HDAC7
SCHEMBL6449408 0.75 PTPN11 (0.53) PTPN11
SCHEMBL6449412 0.75 PTPN11 (0.53) PTPN11
SCHEMBL6452478 0.74 KCNA3 (0.34) RARBHDAC11HDAC2PTPN11NR0B2
SCHEMBL6449246 0.74 ALDH1A1 (0.35) IKBKBRARBHDAC11HDAC2HDAC7

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 IKBKB 2932/4885RARB 401/4885HDAC11 14/4885

“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.