SCHEMBL6450595

SCHEMBL6450595

Nc1cc(-c2ccc(C=C3SC(=O)NC3=O)cn2)cc(C2CCCCC2)c1O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 18/20 0.48
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
AKR1B1 P15121 1/20 0.42
GSK3B P49841 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6450593 1.00 HPGD (0.48) HPGDRAB9ANPC1HTTAKR1B1
SCHEMBL6449229 0.85 HPGD (0.51) HPGDRAB9ANPC1HTTGSK3B
SCHEMBL6449233 0.85 HPGD (0.51) HPGDRAB9ANPC1HTTGSK3B
SCHEMBL6447878 0.79 HPGD (0.46) HPGDRAB9ANPC1HTT
SCHEMBL6447884 0.79 HPGD (0.46) HPGDRAB9ANPC1HTT
SCHEMBL6449303 0.78 PTGS1 (0.47) HPGDRAB9ANPC1HTTAKR1B1
SCHEMBL6449306 0.78 PTGS1 (0.47) HPGDRAB9ANPC1HTTAKR1B1
SCHEMBL6457211 0.77 HPGD (0.44) HPGDRAB9ANPC1HTT
SCHEMBL6457208 0.77 HPGD (0.44) HPGDRAB9ANPC1HTT
SCHEMBL6450388 0.77 PTPN1 (0.57) HPGDHTT

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 HPGD 1202/4885RAB9A 3637/4885NPC1 2072/4885

“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.