SCHEMBL17716534

SCHEMBL17716534

Cc1c(-c2cccc(-c3nncnn3)c2)c(=O)oc2c(F)c(O)c(F)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERAP1 Q9NZ08 1/20 0.37
▸ ESR1 P03372 2/20 0.34
▸ ESR2 Q92731 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ STAT1 P42224 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
SCHEMBL17716531 0.90 ERAP1 (0.38) ERAP1ESR1ESR2KDM4EALDH1A1
SCHEMBL17716550 0.78 ERAP1 (0.41) ERAP1ESR1ESR2KDM4EALDH1A1
SCHEMBL17716542 0.75 — —
SCHEMBL8571644 0.75 KDM4E (0.51) ERAP1ESR1ESR2KDM4EALDH1A1
SCHEMBL13177605 0.73 KDM4E (0.48) ERAP1ESR1ESR2KDM4EALDH1A1
SCHEMBL17717518 0.73 TP53 (0.48) MAPTGAA
SCHEMBL17716530 0.73 ERAP1 (0.47) ERAP1ESR1ESR2KDM4EALDH1A1
SCHEMBL17716541 0.72 — —
SCHEMBL17716528 0.69 MEN1 (0.45) KDM4EALDH1A1LMNAMAPTPOLB
SCHEMBL17716549 0.69 KDM4E (0.66) ERAP1ESR1ESR2KDM4EALDH1A1

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 3 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
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 ERAP1 3627/4885ESR1 3491/4885ESR2 4188/4885
US-20200188535-A1 Bioorthogonal Turn-on Probes ZYX, MPI, BAZ1A ERAP1 3604/4885ESR1 3710/4885ESR2 4254/4885

“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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