SCHEMBL20534614

SCHEMBL20534614

CN1C(=O)C(=[N+]=[N-])c2cc(F)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
PARK7 Q99497 4/20 0.43
CASP3 P42574 4/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
TTR P02766 1/20 0.36
CES1 P23141 1/20 0.36
CASP1 P29466 1/20 0.36
CASP4 P49662 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
CASP6 P55212 1/20 0.36
NSD2 O96028 1/20 0.35
CHRM5 P08912 1/20 0.35
BRD4 O60885 2/20 0.34

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
SCHEMBL20534453 0.87 PARK7 (0.36) CA1CA2PARK7CASP3TTR
SCHEMBL28587504 0.82 CA1 (0.43) CA1CA2CASP3TTRCES1
SCHEMBL28581855 0.81 CA2 (0.44) CA1CA2CASP3GABRA1GABRG2
SCHEMBL28588483 0.81 CASP3 (0.63) CASP3TTRCES1CASP1CASP4
SCHEMBL28584419 0.81 PIM1 (0.45) CA1CA2CASP3GABRA1GABRG2
SCHEMBL28577754 0.78 PARK7 (0.42) CA1CA2PARK7CASP3TTR
SCHEMBL30704879 0.78 CASP3 (0.62) CA1CA2PARK7CASP3TTR
SCHEMBL16237987 0.78 CASP3 (0.62) CA1CA2PARK7CASP3TTR
SCHEMBL28916685 0.77 CHRM5 (0.46) CES1CHRM5
SCHEMBL11265954 0.76 TTR (0.58) CASP3TTRCES1TRPA1

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
CN-111961060-B Preparation method of spiroheterocyclic 2, 3-dihydrobenzofuran compound with optical activity 遵义医科大学 2021-07-06 CN disclosed
US-20210130346-A1 Bromodomain Inhibitors ABBVIE INC. (US) 2021-05-06 US disclosed
CN-111961060-A Preparation method of spiroheterocyclic 2, 3-dihydrobenzofuran compound with optical activity 遵义医科大学 2020-11-20 CN disclosed
EP-3609896-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2020-02-19 EP disclosed
WO-2018188047-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2018-10-18 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 (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-20210130346-A1 Bromodomain Inhibitors BRD4, BRD1, BRD3 CA1 2444/4885CA2 3309/4885PARK7 1084/4885

“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.