SCHEMBL6449233

SCHEMBL6449233

O=C1NC(=O)C(=Cc2ccc(-c3cc(C4CCCCC4)c(O)c([N+](=O)[O-])c3)nc2)S1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 13/20 0.51
GSK3B P49841 2/20 0.50
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
IGF1R P08069 1/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
TDP2 O95551 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 1/20 0.41

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
SCHEMBL6449229 1.00 HPGD (0.51) HPGDGSK3BNPC1HTTRAB9A
SCHEMBL6450595 0.85 HPGD (0.48) HPGDGSK3BNPC1HTTRAB9A
SCHEMBL6450593 0.85 HPGD (0.48) HPGDGSK3BNPC1HTTRAB9A
SCHEMBL6448998 0.84 HSP90AA1 (0.39) ALDH1A1MAPT
SCHEMBL6451359 0.80 GSK3B (0.49) HPGDGSK3BNPC1HTTRAB9A
SCHEMBL6451356 0.80 GSK3B (0.49) HPGDGSK3BNPC1HTTRAB9A
SCHEMBL6451044 0.78 PTPN1 (0.54) HPGDGSK3BHTTGAAALDH1A1
SCHEMBL6451047 0.78 PTPN1 (0.54) HPGDGSK3BHTTGAAALDH1A1
SCHEMBL6447884 0.76 HPGD (0.46) HPGDNPC1HTTRAB9A
SCHEMBL6447878 0.76 HPGD (0.46) HPGDNPC1HTTRAB9A

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 1202/4885GSK3B 3200/4885NPC1 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.