SCHEMBL1680964

SCHEMBL1680964

Cc1ccc(C(=O)NCc2ccc(Oc3cccc(F)c3)s2)cn1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC8A1 P32418 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.43
KLKB1 P03952 4/20 0.42
P2RY14 Q15391 1/20 0.42
GCK P35557 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 2/20 0.40
ADRB2 P07550 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL1680799 0.89 GCK (0.42) SLC8A1KMT2AMEN1KLKB1P2RY14
SCHEMBL1680495 0.88 KLKB1 (0.44) SLC8A1KLKB1P2RY14
SCHEMBL1680902 0.88 SLC8A1 (0.49) SLC8A1KMT2AP2RY14KDM4ELMNA
SCHEMBL12737244 0.88 GABRA5 (0.43) SLC8A1KMT2AKLKB1P2RY14GCK
SCHEMBL1681072 0.85 HCAR3 (0.47) KMT2AMEN1KLKB1GCKMAPT
SCHEMBL1681245 0.84 KLKB1 (0.37) SLC8A1KLKB1P2RY14
SCHEMBL1681232 0.83 GCK (0.42) SLC8A1KMT2AMEN1KLKB1P2RY14
SCHEMBL1680841 0.82 GCK (0.42) KLKB1P2RY14GCKKDM4EMAPT
SCHEMBL1680976 0.82 EGLN1 (0.47) KLKB1TP53
SCHEMBL1681242 0.82 KLKB1 (0.36) SLC8A1KLKB1P2RY14GCKTP53

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 12 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-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 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
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 EP 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 (3 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 SLC8A1 3236/4885KMT2A 3747/4885MEN1 351/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD SLC8A1 1123/4885KMT2A 2620/4885MEN1 1165/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 SLC8A1 3100/4885KMT2A 3740/4885MEN1 248/4885

“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.