SCHEMBL13662482

SCHEMBL13662482

N=c1ccc2c(-c3ccccc3C(=O)NCCF)c3ccc(N)cc3oc-2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.68
▸ USP2 O75604 4/20 0.66
▸ ATM Q13315 2/20 0.66
▸ CFTR P13569 1/20 0.66
▸ PAX8 Q06710 1/20 0.66
▸ GOPC Q9HD26 1/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GJA1 P17302 1/20 0.36
▸ GJB2 P29033 1/20 0.36
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ FTO Q9C0B1 2/20 0.34
▸ FPR2 P25090 4/20 0.33
▸ TGM2 P21980 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ P2RY6 Q15077 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PLEC Q15149 1/20 0.32

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
SCHEMBL14399387 0.85 ABCB1 (0.78) ABCB1USP2ATMCFTRPAX8
SCHEMBL13662481 0.83 ABCB1 (0.74) ABCB1USP2ATMCFTRPAX8
SCHEMBL458205 0.83 ABCB1 (0.77) ABCB1USP2ATMCFTRPAX8
SCHEMBL14176749 0.83 ABCB1 (0.77) ABCB1USP2ATMCFTRPAX8
SCHEMBL21375836 0.82 ABCB1 (0.60) ABCB1USP2ATMCFTRPAX8
SCHEMBL23309754 0.82 ABCB1 (0.76) ABCB1USP2ATMCFTRPAX8
SCHEMBL9979456 0.82 ABCB1 (0.79) ABCB1USP2ATMCFTRPAX8
Hydrochloric Acid SCHEMBL5606345 0.82 USP2 (0.76) ABCB1USP2ATMCFTRPAX8
Hydrochloric Acid SCHEMBL29376502 0.82 USP2 (0.76) ABCB1USP2ATMCFTRPAX8
SCHEMBL14693687 0.82 ABCB1 (0.76) ABCB1USP2ATMCFTRPAX8

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-20090257953-A1 NOVEL FLUORINE-18 LABELED RHODAMINE DERIVATIVES FOR MYOCARDIAL PERFUSION IMAGING WITH POSITRON EMISSION TOMOGRAPHY CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-10-15 — — 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-20090257953-A1 NOVEL FLUORINE-18 LABELED RHODAMINE DERIVATIVES FOR MYOCARDIAL PERFUSION IMAGING WITH POSITRON EMISSION TOMOGRAPHY FABP3, MPI, TNNI3 ABCB1 403/4885USP2 3943/4885ATM 4464/4885

“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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