SCHEMBL5576504

SCHEMBL5576504

N[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 4/20 0.56
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
BAZ1A Q9NRL2 1/20 0.52
POLB P06746 4/20 0.51
MLKL Q8NB16 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
S1PR3 Q99500 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL5576509 1.00 KLK7 (0.56) KLK7ROCK2ROCK1NPC1RAB9A
SCHEMBL16943502 0.93 POLB (0.51) KLK7ROCK2ROCK1NPC1RAB9A
SCHEMBL20491035 0.93 POLB (0.51) KLK7ROCK2ROCK1NPC1RAB9A
SCHEMBL4982071 0.88 POLB (0.66) KLK7ROCK2ROCK1NPC1RAB9A
SCHEMBL19074543 0.88 POLB (0.66) KLK7ROCK2ROCK1NPC1RAB9A
SCHEMBL23611205 0.86 ROCK2 (0.56) ROCK2ROCK1BAZ1APOLBMEN1
SCHEMBL23611208 0.86 ROCK2 (0.56) ROCK2ROCK1BAZ1APOLBMEN1
Hydrochloric Acid SCHEMBL8010083 0.86 POLB (0.63) KLK7ROCK2ROCK1NPC1RAB9A
Hydrochloric Acid SCHEMBL8010089 0.86 POLB (0.63) KLK7ROCK2ROCK1NPC1RAB9A
SCHEMBL23611109 0.83 KMT2A (0.56) ROCK2ROCK1RAB9ABAZ1APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240252488-A1 MLKL BINDING OR DEGRADING COMPOUND AND PHARMACEUTICAL USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-08-01 US disclosed
WO-2022065962-A1 MLKL BINDING OR DEGRADING COMPOUND AND PHARMACEUTICAL USE THEREOF 한국화학연구원 2022-03-31 WO disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 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 (2 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-20240252488-A1 MLKL BINDING OR DEGRADING COMPOUND AND PHARMACEUTICAL USE THEREOF MLKL, PCSK9, CTSA KLK7 102/4885ROCK2 1883/4885ROCK1 1635/4885
US-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 KLK7 2768/4885ROCK2 1733/4885ROCK1 1650/4885

“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.