SCHEMBL24119968

SCHEMBL24119968

O=C(NC(Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.55
CTSL P07711 6/20 0.53
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
KMT2A Q03164 1/20 0.52
CTSB P07858 4/20 0.51
CTSS P25774 4/20 0.51
CTSK P43235 4/20 0.51
GRIA1 P42261 1/20 0.51
MC4R P32245 1/20 0.50
F11 P03951 1/20 0.50
CTSV O60911 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
SCHEMBL20777173 1.00 NPC1 (0.60) NPC1RAB9AL3MBTL1CTSLCNR1
SCHEMBL22822798 0.92 NPC1 (0.60) NPC1RAB9ACTSLCNR1CNR2
SCHEMBL20777179 0.92 L3MBTL1 (0.67) L3MBTL1CTSLCNR1CNR2KMT2A
SCHEMBL20777238 0.92 L3MBTL1 (0.67) L3MBTL1CTSLCNR1CNR2KMT2A
SCHEMBL20777169 0.90 CTSL (0.49) NPC1RAB9AL3MBTL1CTSLCNR1
SCHEMBL20777225 0.88 L3MBTL1 (0.53) L3MBTL1CTSLCNR1CNR2KMT2A
SCHEMBL22822797 0.88 L3MBTL1 (0.53) L3MBTL1CTSLCNR1CNR2KMT2A
SCHEMBL20777178 0.86 CTSL (0.52) L3MBTL1CTSLCNR1CNR2KMT2A
SCHEMBL20777212 0.86 NPC1 (0.55) NPC1RAB9AL3MBTL1CTSLKMT2A
SCHEMBL20777199 0.86 CTSL (0.52) L3MBTL1CTSLCNR1CNR2KMT2A

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-20210395203-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS PLEX PHARMACEUTICALS, INC. 2021-12-23 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-20210395203-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS FKBP2, FKBP1B, FKBP1A NPC1 1443/4885RAB9A 1223/4885L3MBTL1 4599/4885

“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.