SCHEMBL26503526

SCHEMBL26503526

CC(Cc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
NPC1 O15118 2/20 0.68
MAPT P10636 3/20 0.65
TP53 P04637 1/20 0.65
POLB P06746 1/20 0.65
FPR2 P25090 1/20 0.61
MTOR P42345 1/20 0.56
IDO1 P14902 2/20 0.56
CYP3A4 P08684 3/20 0.54
TSHR P16473 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 2/20 0.52
STAT3 P40763 1/20 0.52
HTT P42858 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.49
EPAS1 Q99814 1/20 0.49

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
SCHEMBL2845806 0.85 MEN1 (0.79) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL21880197 0.83 MAPT (0.65) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL21880198 0.83 MAPT (0.65) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL26503521 0.82 KMT2A (0.76) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL27546642 0.81 EPHX2 (0.52) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL2610082 0.81 MEN1 (0.74) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL19316158 0.81 NPC1 (0.74) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL18061115 0.81 FPR2 (0.73) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL20963255 0.81 CA1 (0.57) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL27521318 0.81 TRPA1 (0.52) RAB9AMEN1KMT2ANPC1MAPT

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-20230321123-A1 INHIBITORS OF PSEUDOMONAS AERUGINOSA VIRULENCE FACTOR LasB HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2023-10-12 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-20230321123-A1 INHIBITORS OF PSEUDOMONAS AERUGINOSA VIRULENCE FACTOR LasB SERPINB1, LTA, TFPI RAB9A 1244/4885MEN1 4644/4885KMT2A 4437/4885

“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.