SCHEMBL3112082

SCHEMBL3112082

COC(=O)c1cnc(/N=C/N(C)C)s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.73
KDM4E B2RXH2 7/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
HPGD P15428 3/20 0.63
RAB9A P51151 3/20 0.61
NPC1 O15118 1/20 0.61
CYP1A2 P05177 3/20 0.57
CYP2C19 P33261 3/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
RECQL P46063 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.39
CASP1 P29466 1/20 0.37

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
SCHEMBL3112087 1.00 ALDH1A1 (0.73) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL5357917 0.86 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL5357915 0.86 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL5353560 0.85 ALDH1A1 (1.00) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL5353564 0.85 ALDH1A1 (1.00) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL23162497 0.83 ALDH1A1 (0.66) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL23162498 0.83 ALDH1A1 (0.66) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL23207060 0.83 ALDH1A1 (0.66) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL3017848 0.78 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL3017850 0.78 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A

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 5 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
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
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 ALDH1A1 1486/4885KDM4E 4003/4885SMN1; SMN2 3795/4885

“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.