SCHEMBL29927101

SCHEMBL29927101

COc1ccc(C(=O)Nc2cccc(OCC3COC3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.65
RAB9A P51151 8/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
KMT2A Q03164 5/20 0.65
TP53 P04637 4/20 0.65
ALDH1A1 P00352 4/20 0.65
PKM P14618 2/20 0.65
KCNK9 Q9NPC2 1/20 0.57
NR1H4 Q96RI1 2/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
NLRP3 Q96P20 1/20 0.55
MEN1 O00255 4/20 0.54
LMNA P02545 1/20 0.54
TRPV1 Q8NER1 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
HTT P42858 2/20 0.53
MAPT P10636 2/20 0.53
GAA P10253 2/20 0.53

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
SCHEMBL31187080 0.86 KMT2A (0.51) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL29927042 0.81 TSHR (0.61) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL4256368 0.80 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL29927442 0.79 NPC1 (0.64) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL29927010 0.78 NPC1 (0.62) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL29926864 0.78 KCNK3 (0.61) NPC1RAB9AKMT2AALDH1A1KCNK9
SCHEMBL10055020 0.78 NPC1 (0.94) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL29927158 0.77 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL29927583 0.77 NPC1 (0.60) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL20239535 0.76 MAOB (0.54) NPC1RAB9ASMN1; SMN2KMT2ANR1H4

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-20240299371-A1 BIARYL AMIDE AND HETEROARYL AMIDES FOR TREATMENT OF CANDIDA ALBICANS INFECTION UNIV TEXAS (US) 2024-09-12 US claimed
WO-2022197740-A1 BIARYL AMIDE AND HETEROARYL AMIDES FOR TREATMENT OF CANDIDA ALBICANS INFECTION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-09-22 WO claimed
US-20240299371-A1 BIARYL AMIDE AND HETEROARYL AMIDES FOR TREATMENT OF CANDIDA ALBICANS INFECTION UNIV TEXAS (US) 2024-09-12 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-20240299371-A1 BIARYL AMIDE AND HETEROARYL AMIDES FOR TREATMENT OF CANDIDA ALBICANS INFECTION AADAC, BET1, ERG28 NPC1 2429/4885RAB9A 2286/4885SMN1; SMN2 4882/4885

“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.