SCHEMBL4883099

SCHEMBL4883099

Cc1nc2ccc(-c3ncc(-c4ccc(Cl)cc4)o3)cc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.67
ALDH1A1 P00352 6/20 0.55
NPC1 O15118 6/20 0.52
RAB9A P51151 5/20 0.52
KDM4E B2RXH2 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 4/20 0.52
STAT1 P42224 2/20 0.52
HCRTR1 O43613 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
POLB P06746 3/20 0.49
MAPT P10636 2/20 0.49
GFER P55789 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAP4K4 O95819 1/20 0.45
MCHR1 Q99705 1/20 0.44
GAA P10253 2/20 0.43

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
SCHEMBL4876706 0.89 RAB9A (0.60) DGAT1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL4876207 0.85 PTPN1 (0.54) DGAT1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL4876062 0.82 KDM4E (0.52) DGAT1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL1250427 0.80 DGAT1 (1.00) DGAT1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL6251713 0.73 RAB9A (0.71) DGAT1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL2884316 0.73 ALDH1A1 (1.00) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2457137 0.72 RAB9A (0.67) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL13680597 0.70 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL27074034 0.69 NPC1 (0.57) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL29231579 0.69 ALOX15 (0.82) DGAT1ALDH1A1NPC1RAB9AKDM4E

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-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US claimed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 WO claimed
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US disclosed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 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-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK DGAT1 2890/4885ALDH1A1 404/4885NPC1 2981/4885

“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.