SCHEMBL25880579

SCHEMBL25880579

Cc1cc(C(F)(F)F)nc(C)c1Cn1cncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.38
CYP19A1 P11511 11/20 0.37
UGT1A4 P22310 1/20 0.37
PDE4D Q08499 1/20 0.37
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 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
SCHEMBL25252389 0.86 CYP19A1 (0.38) KLKB1CYP19A1UGT1A4PDE4DHSD17B10
SCHEMBL31679112 0.86 CYP19A1 (0.38) KLKB1CYP19A1UGT1A4PDE4DHSD17B10
SCHEMBL28786049 0.74 CYP11B1 (0.50) KLKB1CYP19A1UGT1A4PDE4DMAPK1
SCHEMBL23269422 0.72 HSP90AA1 (0.40) HSD17B10ALDH1A1HPGDKDM4ETSHR
SCHEMBL23269409 0.71 HSP90AA1 (0.39) HSD17B10ALDH1A1HPGDKDM4ETSHR
SCHEMBL28093407 0.66 CYP19A1 (0.52) CYP19A1UGT1A4PDE4DMAPK1CYP3A4
SCHEMBL11985857 0.64 HSP90AA1 (0.45) HSD17B10ALDH1A1HPGDKDM4ETSHR
SCHEMBL18018164 0.63 HSP90AA1 (0.44) HSD17B10ALDH1A1HPGDKDM4ETSHR
SCHEMBL27797542 0.62 CYP19A1 (0.43) CYP19A1UGT1A4PDE4D
SCHEMBL21603492 0.61 HSP90AA1 (0.52) HSD17B10ALDH1A1KDM4ETSHRCYP3A4

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-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-07-13 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-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF USP7, USP28, USP1 KLKB1 2455/4885CYP19A1 2485/4885UGT1A4 1911/4885

“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.