SCHEMBL20760459

SCHEMBL20760459

O=C(O)Cc1ccc(N2C(=O)C=C(Br)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ GRK2 P25098 1/20 0.46
▸ CASP6 P55212 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ PTGER4 P35408 5/20 0.46
▸ KLKB1 P03952 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ QPCT Q16769 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ DUSP3 P51452 1/20 0.43
▸ DUSP22 Q9NRW4 1/20 0.43
▸ CA2 P00918 1/20 0.42
▸ CAMK2A Q9UQM7 1/20 0.42
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ RGS4 P49798 1/20 0.41
▸ AKR1B1 P15121 1/20 0.40
▸ LMNA P02545 2/20 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
SCHEMBL8890190 0.81 KLKB1 (0.53) NSD2POLBGRK2CASP6CTDSP1
SCHEMBL20760789 0.79 RGS4 (0.40) CA2RGS4MEN1KMT2A
SCHEMBL22153147 0.76 POLB (0.47) POLBCYP2D6MEN1KMT2AGAA
SCHEMBL18919417 0.76 MGLL (0.53) POLBRGS4MEN1KMT2A
SCHEMBL6755043 0.76 MGLL (0.62) NSD2POLBGRK2CASP6CTDSP1
SCHEMBL1163961 0.76 MGLL (0.50) RGS4MEN1KMT2AGAATSHR
Hydrochloric Acid SCHEMBL6753371 0.75 MGLL (0.60) NSD2POLBGRK2CASP6CTDSP1
Hydrazine SCHEMBL16908509 0.73 MGLL (0.58) NSD2POLBGRK2CASP6CTDSP1
SCHEMBL8889327 0.73 KLKB1 (0.59) NSD2POLBGRK2CASP6CTDSP1
SCHEMBL9725345 0.73 FAAH (0.39) POLBCA2RGS4LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055195-A1 Phenyl, bromo-maleimide as a coupling group for conjugation to sulfhydryl group Immunwork Inc. (TW) 2019-02-21 — — 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 (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-20190055195-A1 Phenyl, bromo-maleimide as a coupling group for conjugation to sulfhydryl group BRI3BP, CTH, BRD2 NSD2 381/4885POLB 4437/4885GRK2 2857/4885

“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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