SCHEMBL24312945

SCHEMBL24312945

COc1ccc(-c2nc3ccc(-c4nc5ccc(C6=NCC(C)(C)CN6)cc5[nH]4)cc3[nH]2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
EPHX2 P34913 1/20 0.47
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
CYP1A1 P04798 1/20 0.45
GUSB P08236 1/20 0.45
CYP1B1 Q16678 1/20 0.45
AMY1A P0DUB6 7/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
PARP1 P09874 1/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 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
SCHEMBL29558531 1.00 ALOX5 (0.47) ALOX5EPHX2GAAMGAMSI
SCHEMBL24313017 0.82 ALOX5 (0.48) ALOX5EPHX2GAAMGAMSI
SCHEMBL24312986 0.81 ALOX5 (0.47) ALOX5EPHX2GAAMGAMSI
SCHEMBL29557824 0.81 ALOX5 (0.47) ALOX5EPHX2GAAMGAMSI
SCHEMBL7395868 0.73 CYP1A1 (0.69) ALOX5EPHX2GAAMGAMSI
SCHEMBL24313339 0.71 PDE4A (0.47) ALOX5EPHX2GAAMGAMSI
SCHEMBL29558112 0.71 PDE4A (0.47) ALOX5EPHX2GAAMGAMSI
SCHEMBL9082178 0.70 CYP3A4 (0.46) GAAKDM4EMEN1MAPTKMT2A
SCHEMBL24313041 0.70 PDE4A (0.52) ALOX5EPHX2GAAMGAMSI
SCHEMBL9383998 0.68 CYP1A1 (0.50) ALOX5EPHX2GAAMGAMSI

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220096441-A1 TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2022-03-31 US 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-20220096441-A1 TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS PKD2, PKD1, MUC1 ALOX5 2180/4885EPHX2 1405/4885GAA 1110/4885

“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.