SCHEMBL1680994

SCHEMBL1680994

O=C(NCc1ccc(Oc2ccccc2)s1)c1cnc2[nH]ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.55
KLKB1 P03952 4/20 0.50
JAK2 O60674 1/20 0.49
MAP4K4 O95819 1/20 0.49
CHEK2 O96017 1/20 0.49
PRKCG P05129 1/20 0.49
CDK1 P06493 1/20 0.49
FES P07332 1/20 0.49
RET P07949 1/20 0.49
ROS1 P08922 1/20 0.49
FER P16591 1/20 0.49
FLT1 P17948 1/20 0.49
AXL P30530 1/20 0.49
FLT4 P35916 1/20 0.49
KDR P35968 1/20 0.49
FLT3 P36888 1/20 0.49
MAPK9 P45984 1/20 0.49
IRAK1 P51617 1/20 0.49
LIMK1 P53667 1/20 0.49
MAP4K2 Q12851 1/20 0.49

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
SCHEMBL1681068 0.85 HPGD (0.42) NAMPTMAPK14HPGDSALDH1A1LMNA
SCHEMBL1680775 0.82 PSMD14 (0.42) MAPK14HPGDSALDH1A1LMNAHPGD
SCHEMBL1680922 0.81 GALR3 (0.40) NAMPTKLKB1JAK2MAP4K4CHEK2
SCHEMBL1680902 0.78 SLC8A1 (0.49) MAPK14ALDH1A1LMNAHPGD
SCHEMBL1680509 0.78 EPHX2 (0.49) MAPK14HPGDSALDH1A1LMNAHPGD
SCHEMBL858436 0.78 NAMPT (0.79) NAMPTKLKB1JAK2MAP4K4CHEK2
SCHEMBL1680549 0.78 ALDH1A1 (0.41) MAPK14HPGDSALDH1A1LMNAHPGD
SCHEMBL1680847 0.78 NNMT (0.43) MAPK14ALDH1A1LMNA
SCHEMBL1681352 0.77 MAPK14 (0.49) NAMPTMAPK14ALDH1A1
SCHEMBL12808405 0.77 MAPK14 (0.40) MAPK14HPGDSALDH1A1LMNAHPGD

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 8 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-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 NAMPT 1609/4885KLKB1 3404/4885JAK2 4050/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 NAMPT 1668/4885KLKB1 3648/4885JAK2 4085/4885

“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.