SCHEMBL1680939

SCHEMBL1680939

Nc1nc2ccsc2cc1C(=O)NCc1ccc(Oc2ccccc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP2D6 P10635 2/20 0.37
PRNP P04156 1/20 0.37
MAPT P10636 4/20 0.36
TP53 P04637 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAOB P27338 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KLKB1 P03952 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SCN9A Q15858 1/20 0.35
MAPK8 P45983 1/20 0.35
CYP3A4 P08684 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL1680988 0.85 GALR3 (0.40) GALR3NR2F2LMNAMAPK1PRNP
SCHEMBL1680580 0.82 KCNQ3 (0.35) LMNAMAPK1MAPTTP53MAOB
SCHEMBL1680856 0.81 ALDH1A1 (0.40) GALR3NR2F2LMNAMAPTTP53
SCHEMBL1680549 0.80 ALDH1A1 (0.41) LMNACYP2D6SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL1680922 0.80 GALR3 (0.40) GALR3NR2F2LMNAPRNPKLKB1
SCHEMBL921262 0.79 MAPK8 (0.38) GALR3NR2F2LMNAMAPK1MAPT
SCHEMBL1680398 0.79 MAPK8 (0.40) GALR3NR2F2KLKB1ALDH1A1MAPK8
SCHEMBL920425 0.79 KLKB1 (0.40) GALR3NR2F2MAPK1MAPTCYP2C9
SCHEMBL1680407 0.79 MAPK8 (0.40) GALR3NR2F2LMNAPRNPMAPT
SCHEMBL1681244 0.79 SYK (0.38) LMNAMAPK1MAPTKDM4EALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 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 (2 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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 GALR3 1471/4885NR2F2 3600/4885LMNA 2372/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 GALR3 1613/4885NR2F2 3793/4885LMNA 2208/4885

“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.