SCHEMBL2546549

SCHEMBL2546549

CC(C)C[C@H](C(=O)N1CC=C(c2ccc(F)cc2)CC1)[C@H](O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
CCR1 P32246 1/20 0.44
MAPK1 P28482 1/20 0.43
SIGMAR1 Q99720 4/20 0.42
CNR1 P21554 1/20 0.42
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PARP1 P09874 3/20 0.41
NAMPT P43490 2/20 0.41
PARP2 Q9UGN5 1/20 0.40

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
SCHEMBL2252888 1.00 NPC1 (0.48) NPC1ALDH1A1ALOX15MAPTHPGD
SCHEMBL2550364 0.90 CCR1 (0.54) NPC1MAPTCCR1SIGMAR1CNR1
SCHEMBL2248993 0.90 CCR1 (0.54) NPC1MAPTCCR1SIGMAR1CNR1
SCHEMBL2246819 0.90 KCNH2 (0.52) NPC1ALDH1A1ALOX15RAB9ASMN1; SMN2
SCHEMBL2549704 0.90 KCNH2 (0.52) NPC1ALDH1A1ALOX15RAB9ASMN1; SMN2
SCHEMBL2546779 0.88 MMP1 (0.53) NPC1ALDH1A1ALOX15MAPTHPGD
SCHEMBL2244916 0.88 MMP1 (0.53) NPC1ALDH1A1ALOX15MAPTHPGD
SCHEMBL2551945 0.80 MMP1 (0.53) NPC1MAPTCCR1SIGMAR1CNR1
SCHEMBL2249241 0.80 MMP1 (0.53) NPC1MAPTCCR1SIGMAR1CNR1
SCHEMBL14197130 0.79 NAMPT (0.58) NPC1ALDH1A1ALOX15MAPTHPGD

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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US claimed

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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD NPC1 641/4885ALDH1A1 354/4885ALOX15 81/4885

“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.