SCHEMBL1680403

SCHEMBL1680403

Nc1ncccc1C(=O)NCc1ccc(OCc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
HTT P42858 1/20 0.50
MAOB P27338 1/20 0.50
KDM4A O75164 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PTPN1 P18031 1/20 0.45
MAPK8 P45983 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RORC P51449 1/20 0.43

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
SCHEMBL1680967 0.86 HDAC1 (0.51) HPGDLMNASMN1; SMN2MAPK8KMT2A
SCHEMBL12943613 0.85 MAPK8 (0.48) HPGDLMNASMN1; SMN2MAPK8KMT2A
SCHEMBL12352255 0.84 SGMS2 (0.53) HPGDHTTLMNASMN1; SMN2MAPK8
SCHEMBL920445 0.84 HPGD (0.49) HPGDMAOBLMNASMN1; SMN2MAPK8
SCHEMBL923290 0.84 MAPK8 (0.53) HPGDMAOBLMNASMN1; SMN2MAPK8
SCHEMBL1681273 0.84 SCN3A (0.56) HPGDMAOBNPC1RAB9ALMNA
SCHEMBL922540 0.82 MAPK8 (0.58) HPGDHTTLMNASMN1; SMN2MAPK8
SCHEMBL921387 0.82 RORC (0.61) HPGDHTTLMNASMN1; SMN2MAPK8
SCHEMBL922058 0.81 MAPK8 (0.59) LMNASMN1; SMN2MAPK8KMT2AMEN1
SCHEMBL12352271 0.78 KMT2A (0.59) HPGDMAOBLMNASMN1; SMN2MAPK8

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 10 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-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 HPGD 2538/4885HTT 4818/4885MAOB 1175/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD HPGD 1490/4885HTT 3374/4885MAOB 2220/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 HPGD 2725/4885HTT 4819/4885MAOB 1205/4885

“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.