SCHEMBL29927602

SCHEMBL29927602

CC1(COc2cccc(NC(=O)c3cccnc3)c2)COC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
KMT2A Q03164 4/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
KDR P35968 1/20 0.56
MAPK1 P28482 1/20 0.54
BACE1 P56817 1/20 0.54
KCNK3 O14649 1/20 0.53
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
SIRT3 Q9NTG7 1/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 1/20 0.49
HIF1A Q16665 1/20 0.49
NPC1 O15118 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
SCHEMBL29927529 0.87 TSHR (0.61) TSHRSMN1; SMN2KMT2ACYP1A2CYP2C9
SCHEMBL29926782 0.84 KMT2A (0.50) TSHRSMN1; SMN2KMT2ACYP1A2CYP2C9
SCHEMBL29927442 0.82 NPC1 (0.64) SMN1; SMN2KMT2ACYP1A2CYP2C9KCNK3
SCHEMBL6174341 0.81 TSHR (0.75) TSHRSMN1; SMN2KMT2ACYP1A2CYP2C9
SCHEMBL29927042 0.79 TSHR (0.61) TSHRSMN1; SMN2KMT2ACYP1A2CYP2C9
SCHEMBL4653584 0.78 SMN1; SMN2 (1.00) TSHRSMN1; SMN2KMT2ACYP1A2CYP2C9
SCHEMBL29926842 0.74 NPC1 (0.58) TSHRSMN1; SMN2KMT2AMAPK1KCNK3
SCHEMBL6174665 0.72 KMT2A (0.73) TSHRSMN1; SMN2KMT2ACYP1A2CYP2C9
SCHEMBL9936128 0.71 DHFR (0.46) TSHRSMN1; SMN2BACE1ALDH1A1HTT
SCHEMBL2105307 0.71 KCNK3 (0.74) TSHRSMN1; SMN2KMT2ACYP1A2CYP2C9

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 4882/4885KMT2A 837/4885

“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.