SCHEMBL3106793

SCHEMBL3106793

COc1ccc(C(=O)c2cnc3sc(C(=O)O)cn23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 2/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FFAR1 O14842 1/20 0.40
CSNK2A2 P19784 2/20 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
SCHEMBL3232106 0.91 ALDH1A1 (0.48) ALOX15ALDH1A1LMNAHTTNPSR1
SCHEMBL3335580 0.81 NPC1 (0.43) ALDH1A1LMNAHTTNPSR1MAPT
SCHEMBL6790338 0.73 MAPT (0.69) ALDH1A1LMNANPSR1MAPTCA1
SCHEMBL31365946 0.70 NPC1 (0.48) ALOX15ALDH1A1LMNAHTTNPSR1
SCHEMBL23657863 0.69 PKM (0.62) ALOX15ALDH1A1LMNAHTTNPSR1
SCHEMBL18548584 0.67 SMN1; SMN2 (0.48) ALDH1A1LMNAHTTMAPTHPGD
SCHEMBL29660149 0.67 SMN1; SMN2 (0.48) ALDH1A1LMNAHTTMAPTHPGD
SCHEMBL10768583 0.66 HPGD (0.57) ALDH1A1LMNAHTTNPSR1MAPT
SCHEMBL2129171 0.66 CA1 (0.87) ALDH1A1LMNANPSR1MAPTCA1
SCHEMBL1340937 0.66 NPC1 (0.40) ALDH1A1MAPTHPGDKDM4ERXFP1

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-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 US disclosed
EP-2167490-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2010-03-31 EP disclosed
WO-2008153325-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-12-18 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-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CYP51A1, ERG28, CYP3A7 ALOX15 2948/4885ALDH1A1 1486/4885LMNA 3738/4885

“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.