SCHEMBL25285366

SCHEMBL25285366

Cc1cc(Cl)nc(Br)c1NCCCNC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SIRT5 Q9NXA8 2/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
GSR P00390 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL31628456 0.76 LMNA (0.42) ALDH1A1SMN1; SMN2KDM4EGAAUSP2
SCHEMBL25884356 0.70 KDM4E (0.36) ALDH1A1KDM4E
SCHEMBL15758161 0.69 CYP2D6 (0.63) KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL25282673 0.67 ALDH1A1 (0.59) TAAR1MEN1KMT2AACHEALDH1A1
SCHEMBL25301262 0.67 GFER (0.35) TAAR1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL16701354 0.66 CYP2D6 (0.63) KMT2ABCHEACHEALDH1A1SMN1; SMN2
SCHEMBL18786786 0.65 CYP3A4 (0.46) TAAR1MEN1KMT2AACHEALDH1A1
SCHEMBL19133516 0.65 RAB9A (0.36) MEN1KMT2ABCHEACHEKDM4E
SCHEMBL18990020 0.65 MAPT (0.46) ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL16701429 0.65 CYP2D6 (0.61) KMT2ABCHEACHEALDH1A1SMN1; SMN2

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-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-07-13 US disclosed
WO-2023119233-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-06-29 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-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF USP7, USP28, USP1 TAAR1 4139/4885MEN1 2177/4885KMT2A 884/4885

“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.