SCHEMBL21139263

SCHEMBL21139263

C[C@H]1CC[C@H](c2ncc(Br)s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31

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
SCHEMBL21122190 1.00 ESR2 (0.32) ESR2ALDH1A1IDO1TDO2
SCHEMBL17203791 0.90
SCHEMBL22203273 0.83
SCHEMBL20298979 0.82 WDR5 (0.39) ALDH1A1
SCHEMBL20298764 0.82 WDR5 (0.36) ALDH1A1
SCHEMBL20789238 0.81 FPR3 (0.38) ESR2IDO1TDO2
SCHEMBL20789235 0.81 FPR3 (0.38) ESR2IDO1TDO2
SCHEMBL20789138 0.81
SCHEMBL20789141 0.81
SCHEMBL20807215 0.81 WDR5 (0.39) ALDH1A1TDO2

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-20220056022-A1 RAD51 INHIBITORS CYTEIR THERAPEUTICS, INC. 2022-02-24 US disclosed
US-20190194182-A1 RAD51 INHIBITORS CYTEIR THERAPEUTICS, INC. 2019-06-27 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 (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-20220056022-A1 RAD51 INHIBITORS RAD51, MRE11, RAD54L ESR2 1698/4885ALDH1A1 4493/4885IDO1 2147/4885
US-20190194182-A1 RAD51 INHIBITORS RAD51, MRE11, RAD54L ESR2 1698/4885ALDH1A1 4493/4885IDO1 2147/4885

“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.