SCHEMBL29927042

SCHEMBL29927042

O=C(Nc1cccc(OCC2COC2)c1)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
KDR P35968 1/20 0.61
KMT2A Q03164 4/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
KCNK3 O14649 1/20 0.55
NR1H4 Q96RI1 2/20 0.54
MAPK1 P28482 1/20 0.53
MEN1 O00255 3/20 0.53
NPC1 O15118 2/20 0.53
ALDH1A1 P00352 2/20 0.53
RAB9A P51151 2/20 0.53
PRMT5 O14744 1/20 0.51
WDR77 Q9BQA1 1/20 0.51
LMNA P02545 1/20 0.51
HIF1A Q16665 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
SIRT3 Q9NTG7 1/20 0.51

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 0.82 KMT2A (0.51) TSHRSMN1; SMN2KMT2ACYP1A2CYP2C9
SCHEMBL6174341 0.81 TSHR (0.75) TSHRSMN1; SMN2KDRKMT2ACYP1A2
SCHEMBL29927101 0.81 NPC1 (0.65) SMN1; SMN2KMT2ACYP1A2CYP2C9KCNK3
SCHEMBL29927158 0.80 NPC1 (0.53) TSHRSMN1; SMN2KMT2AKCNK3MAPK1
SCHEMBL29927602 0.79 TSHR (0.62) TSHRSMN1; SMN2KDRKMT2ACYP1A2
SCHEMBL29927529 0.78 TSHR (0.61) TSHRSMN1; SMN2KDRKMT2ACYP1A2
SCHEMBL4653584 0.77 SMN1; SMN2 (1.00) TSHRSMN1; SMN2KMT2ACYP1A2CYP2C9
SCHEMBL29926864 0.74 KCNK3 (0.61) KMT2AKCNK3MEN1NPC1ALDH1A1
SCHEMBL20239535 0.74 MAOB (0.54) SMN1; SMN2KMT2ANR1H4MEN1NPC1
SCHEMBL6174665 0.74 KMT2A (0.73) TSHRSMN1; SMN2KDRKMT2ACYP1A2

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
US-20240299371-A1 BIARYL AMIDE AND HETEROARYL AMIDES FOR TREATMENT OF CANDIDA ALBICANS INFECTION UNIV TEXAS (US) 2024-09-12 US disclosed
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 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 TSHR 4194/4885SMN1; SMN2 4882/4885KDR 2099/4885

“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.