SCHEMBL13315801

SCHEMBL13315801

CCN(CC)c1ccc2cc(-n3cc(-c4ccc(F)cc4F)nn3)c(=O)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.51
▸ MAPT P10636 12/20 0.48
▸ MEN1 O00255 8/20 0.48
▸ KMT2A Q03164 8/20 0.48
▸ KDM4E B2RXH2 7/20 0.48
▸ ALDH1A1 P00352 7/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ HTT P42858 4/20 0.48
▸ LMNA P02545 4/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ USP2 O75604 3/20 0.48
▸ HPGD P15428 4/20 0.47
▸ ADRA1D P25100 2/20 0.46
▸ ADRA1A P35348 2/20 0.46
▸ ADRA1B P35368 2/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.45
▸ ATM Q13315 4/20 0.45
▸ CASP1 P29466 2/20 0.45
▸ CASP7 P55210 2/20 0.45

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
SCHEMBL13315800 0.85 MAPT (0.52) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL3550061 0.83 MAPT (0.60) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13348930 0.82 ADRA1D (0.50) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13315799 0.82 MAPT (0.58) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13315798 0.78 CA12 (0.45) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL12527306 0.77 MAPT (0.45) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL12494762 0.77 ADRA1D (0.48) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL12496090 0.77 ADRA1D (0.48) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL20631480 0.74 ADRA1D (0.61) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL12495445 0.72 CYP19A1 (0.53) CYP19A1MAPTMEN1KMT2AKDM4E

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 CYP19A1 3815/4885MAPT 4747/4885MEN1 418/4885

“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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