SCHEMBL13315795

SCHEMBL13315795

COc1ccc2cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c(=O)oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.52
▸ MAOB P27338 3/20 0.50
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ PTGS2 P35354 2/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ MGAM O43451 1/20 0.42
▸ SI P14410 1/20 0.42
▸ MGAM2 Q2M2H8 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
SCHEMBL13315786 0.83 P2RY14 (0.47) ABCG2CA12CA9PTGS2
SCHEMBL2258197 0.76 ABCG2 (0.57) ABCG2HSP90AA1HSP90AB1CA12CA9
SCHEMBL13315789 0.73 MIF (0.56) MAOBNPC1RAB9AKDM4EHPGD
SCHEMBL13315784 0.71 KDM4E (0.47) MAOBCA12CA9CA1PTGS2
SCHEMBL13348930 0.71 ADRA1D (0.50) MAOBCYP19A1NPC1RAB9AKDM4E
SCHEMBL13315799 0.71 MAPT (0.58) MAOBCYP19A1NPC1RAB9AKDM4E
SCHEMBL13315790 0.70 MIF (0.54) ABCG2NPC1HPGDTDP1ALDH1A1
SCHEMBL2248079 0.70 BCHE (0.44) ABCG2CA12CA9CA1PTGS2
SCHEMBL3550958 0.70 SRC (0.52) ABCG2MAOBCA12CA9CA1
SCHEMBL3550061 0.70 MAPT (0.60) MAOBCYP19A1NPC1RAB9AKDM4E

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-7745229-B2 Chemoselective fluorgenic molecular linkers and methods for their preparation and use UNIVERSITY OF SOUTH CAROLINA 2010-06-29 — — US disclosed
US-7745229-B2 Chemoselective fluorgenic molecular linkers and methods for their preparation and use UNIVERSITY OF SOUTH CAROLINA 2010-06-29 — — US disclosed
US-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use UNIVERSITY OF SOUTH CAROLINA (US) 2007-09-27 — — US disclosed
US-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use UNIVERSITY OF SOUTH CAROLINA (US) 2007-09-27 — — 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-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use KIT, HLCS, ALK ABCG2 383/4885MAOB 594/4885HSP90AA1 4804/4885

“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.

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