SCHEMBL1680799

SCHEMBL1680799

CNc1ccc(C(=O)NCc2ccc(Oc3cccc(F)c3)s2)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.42
GABRA5 P31644 4/20 0.41
KLKB1 P03952 4/20 0.40
DGAT2 Q96PD7 2/20 0.39
P2RY14 Q15391 1/20 0.39
SLC8A1 P32418 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
FAAH O00519 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
SCHEMBL1680996 0.90 POLB (0.42) GCKKLKB1SLC8A1MAPTLMNA
SCHEMBL1680964 0.89 SLC8A1 (0.45) GCKKLKB1P2RY14SLC8A1MAPT
SCHEMBL1681072 0.88 HCAR3 (0.47) GCKGABRA5KLKB1MAPTLMNA
SCHEMBL1680831 0.88 MAPK14 (0.44) GABRA5MAPT
SCHEMBL1681139 0.88 MAPK14 (0.46) GCKMAPTLMNAMEN1KMT2A
SCHEMBL12737244 0.88 GABRA5 (0.43) GCKGABRA5KLKB1P2RY14SLC8A1
SCHEMBL1681232 0.87 GCK (0.42) GCKGABRA5KLKB1P2RY14SLC8A1
SCHEMBL1680495 0.87 KLKB1 (0.44) KLKB1DGAT2P2RY14SLC8A1
SCHEMBL1681245 0.82 KLKB1 (0.37) GABRA5KLKB1DGAT2P2RY14SLC8A1
SCHEMBL1681242 0.80 KLKB1 (0.36) GCKGABRA5KLKB1DGAT2P2RY14

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 GCK 1795/4885GABRA5 2834/4885KLKB1 3404/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD GCK 2444/4885GABRA5 4658/4885KLKB1 4258/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 GCK 1938/4885GABRA5 3289/4885KLKB1 3648/4885

“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.