SCHEMBL20744503

SCHEMBL20744503

O=C(O)N1CC[C@H](COc2cccc(OCCBr)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.43
TEAD3 Q99594 1/20 0.43
F2 P00734 1/20 0.41
HRH3 Q9Y5N1 5/20 0.41
FFAR4 Q5NUL3 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
RBP4 P02753 1/20 0.40
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL20744395 1.00 TEAD1 (0.43) TEAD1TEAD3F2HRH3FFAR4
SCHEMBL20744411 1.00 TEAD1 (0.43) TEAD1TEAD3F2HRH3FFAR4
SCHEMBL20744509 0.93 F2 (0.44) TEAD1TEAD3F2FFAR4GRIN2D
SCHEMBL19610380 0.90 TEAD1 (0.43) TEAD1TEAD3RBP4ALDH1A1NPC1
SCHEMBL22435805 0.85 SLC2A1 (0.50) KDM4E
SCHEMBL22435915 0.85 SLC2A1 (0.50) KDM4E
SCHEMBL22406133 0.85 SLC2A1 (0.50) KDM4E
SCHEMBL20744463 0.84 CHRNB4 (0.52) F2FFAR4GRIN2DGRIN3BGRIN1
SCHEMBL20744482 0.84 CHRNB4 (0.52) F2FFAR4GRIN2DGRIN3BGRIN1
SCHEMBL20744410 0.84 CHRNB4 (0.52) F2FFAR4GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3668877-B1 INDOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS ST EUROPEO DI ONCOLOGIA S R L (IT) 2024-05-01 EP disclosed
US-10980777-B2 Indole derivatives as histone demethylase inhibitors ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2021-04-20 US disclosed
US-20200289463-A1 INDOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2020-09-17 US disclosed
EP-3668877-A1 INDOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS Istituto Europeo di Oncologia S.r.l. (IT) 2020-06-24 EP disclosed
WO-2019034774-A1 INDOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA (IEO) S.R.L. (IT) 2019-02-21 WO 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-10980777-B2 Indole derivatives as histone demethylase inhibitors KDM1B, KDM1A, INMT TEAD1 372/4885TEAD3 279/4885F2 4787/4885
US-20200289463-A1 INDOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, INMT TEAD1 372/4885TEAD3 279/4885F2 4787/4885

“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.