SCHEMBL1680865

SCHEMBL1680865

CCCCOCc1ccc(CNC(=O)c2ccc(COC)nc2N)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
EGLN1 Q9GZT9 1/20 0.38
GALR3 O60755 1/20 0.38
NR2F2 P24468 1/20 0.38
CNR2 P34972 2/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 3/20 0.37
CYP2D6 P10635 1/20 0.37
FAAH O00519 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.35
POLB P06746 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
SCHEMBL1681046 0.94 GALR3 (0.39) LMNASMN1; SMN2EGLN1GALR3NR2F2
SCHEMBL1680924 0.91 SMN1; SMN2 (0.50) LMNASMN1; SMN2EGLN1HPGDFAAH
SCHEMBL921221 0.88 TRPV1 (0.42) LMNASMN1; SMN2EGLN1GALR3NR2F2
SCHEMBL920719 0.88 SMN1; SMN2 (0.47) LMNASMN1; SMN2EGLN1HPGDFAAH
SCHEMBL921893 0.87 TRPV1 (0.46) LMNASMN1; SMN2GALR3NR2F2HPGD
SCHEMBL920222 0.86 TRPV1 (0.45) LMNASMN1; SMN2HPGDKMT2AKDM4E
SCHEMBL921133 0.86 TSHR (0.42) LMNASMN1; SMN2EGLN1GALR3NR2F2
SCHEMBL920800 0.86 LMNA (0.40) LMNASMN1; SMN2EGLN1HPGDKMT2A
SCHEMBL1680395 0.85 GALR3 (0.38) LMNASMN1; SMN2EGLN1GALR3NR2F2
SCHEMBL921603 0.85 TRPV1 (0.42) LMNASMN1; SMN2EGLN1HPGD

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 13 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-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 LMNA 2372/4885SMN1; SMN2 4831/4885EGLN1 547/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD LMNA 698/4885SMN1; SMN2 4683/4885EGLN1 441/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 LMNA 2208/4885SMN1; SMN2 4814/4885EGLN1 549/4885

“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.