SCHEMBL17717518

SCHEMBL17717518

Cc1c(CC(=O)NCc2ccc(-c3nncnn3)cc2)c(=O)oc2c(F)c(O)c(F)cc12

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 7/20 0.48
▸ MAPT P10636 4/20 0.48
▸ GAA P10253 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL23480278 0.74 CTDSP1 (0.50) TP53MAPTGAA
SCHEMBL17716534 0.73 ERAP1 (0.37) MAPTGAA
SCHEMBL1985951 0.72 POLB (0.53) —
SCHEMBL18882648 0.72 POLB (0.42) TP53MAPTGAASMN1; SMN2
SCHEMBL18041269 0.72 POLB (0.42) TP53MAPTGAASMN1; SMN2
SCHEMBL14365796 0.72 MAPT (0.53) TP53MAPTSMN1; SMN2
SCHEMBL23471909 0.72 KDM4E (0.53) TP53MAPTGAASMN1; SMN2RXFP1
SCHEMBL14365816 0.70 MAPT (0.49) TP53MAPTSMN1; SMN2
SCHEMBL16645386 0.69 KDM4E (0.56) TP53MAPTGAASMN1; SMN2
SCHEMBL23395072 0.68 KDM4E (0.42) TP53MAPTGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200188535-A1 Bioorthogonal Turn-on Probes THE GENERAL HOSPITAL CORPORATION 2020-06-18 — — US disclosed
US-20160121002-A1 Bioorthogonal Turn-on Probes THE GENERAL HOSPITAL CORPORATION (US) 2016-05-05 — — 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 (2 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-20160121002-A1 Bioorthogonal Turn-on Probes MPI, TIPRL, BAZ1A TP53 603/4885MAPT 1276/4885GAA 3617/4885
US-20200188535-A1 Bioorthogonal Turn-on Probes ZYX, MPI, BAZ1A TP53 635/4885MAPT 870/4885GAA 3537/4885

“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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