SCHEMBL6450520

SCHEMBL6450520

CCC(C)(C)c1cc(-c2ccc(C=C3SC(=O)NC3=O)cn2)cc2nc(C)oc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.41
PIM1 P11309 6/20 0.39
PIM2 Q9P1W9 6/20 0.39
IGF1R P08069 3/20 0.39
CISD1 Q9NZ45 4/20 0.39
PIK3CD O00329 1/20 0.39
CSNK2A2 P19784 1/20 0.39
MAOB P27338 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
CLK1 P49759 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK2 Q92630 1/20 0.39
DYRK1B Q9Y463 1/20 0.39

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
SCHEMBL6450518 1.00 NPC1 (0.41) NPC1RAB9AHTTPIM1PIM2
SCHEMBL6449159 0.86 NPC1 (0.43) NPC1RAB9AHTTPIM1PIM2
SCHEMBL6449163 0.86 NPC1 (0.43) NPC1RAB9AHTTPIM1PIM2
SCHEMBL6457208 0.81 HPGD (0.44) NPC1RAB9AHTTHPGD
SCHEMBL6457211 0.81 HPGD (0.44) NPC1RAB9AHTTHPGD
SCHEMBL6448150 0.80 PTPN11 (0.47) NPC1RAB9AHTTPIM1PIM2
SCHEMBL6448147 0.80 PTPN11 (0.47) NPC1RAB9AHTTPIM1PIM2
SCHEMBL6449258 0.79 PIM1 (0.51) NPC1RAB9AHTTPIM1PIM2
SCHEMBL6449261 0.79 PIM1 (0.51) NPC1RAB9AHTTPIM1PIM2
SCHEMBL6449313 0.79 PTPN1 (0.53) HTTMAOBHPGDKDM4EMAOA

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 4 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 claimed
WO-2004066952-A2 BENZOXAZOLE, BENZOTHIAZOLE, AND BENZIMIDAZOLE DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER DISEASES INCYTE CORPORATION (US) 2004-08-12 WO claimed
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 NPC1 2072/4885RAB9A 3637/4885HTT 1200/4885

“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.