SCHEMBL1680422

SCHEMBL1680422

O=C(NCc1ccc(OCc2ccccc2)cc1)c1ccc2ncccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.60
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
HTT P42858 2/20 0.56
ALDH1A1 P00352 2/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
ALOX12 P18054 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NR1H4 Q96RI1 1/20 0.55
BCAT1 P54687 1/20 0.54
HPGDS O60760 1/20 0.53
RECQL P46063 1/20 0.53
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.51
PLK1 P53350 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51

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
SCHEMBL13491447 0.97 LMNA (0.61) HDAC1LMNASMN1; SMN2HTTALDH1A1
SCHEMBL13491363 0.93 LMNA (0.55) HDAC1LMNASMN1; SMN2HTTALDH1A1
SCHEMBL13491441 0.92 EGLN1 (0.57) HDAC1LMNASMN1; SMN2HTTRAB9A
SCHEMBL13491560 0.92 NPC1 (0.57) HDAC1LMNASMN1; SMN2HTTALDH1A1
SCHEMBL1680508 0.90 RAB9A (0.55) LMNASMN1; SMN2HTTALDH1A1RAB9A
SCHEMBL13491444 0.90 RAB9A (0.55) HDAC1LMNASMN1; SMN2HTTALDH1A1
SCHEMBL3213042 0.90 PLK1 (0.62) HDAC1HTTALDH1A1RAB9ANR1H4
SCHEMBL1680760 0.89 CYSLTR1 (0.52) HDAC1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL13491364 0.89 NR1H4 (0.53) HDAC1MEN1KMT2ANR1H4BCAT1
SCHEMBL1681381 0.89 MAPK14 (0.61) HDAC1LMNASMN1; SMN2HTTNR1H4

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969380-B2 Secondary 8-hydroxyquinoline-7-carboxamide derivatives for use as antifungal agents POLICHEM SA (LU) 2015-03-03 US disclosed
US-8969380-B2 Secondary 8-hydroxyquinoline-7-carboxamide derivatives for use as antifungal agents POLICHEM SA (LU) 2015-03-03 US disclosed
US-8729076-B2 Secondary 8-hydroxyquinoline-7-carboxamide derivatives POLICHEM SA (LU) 2014-05-20 US disclosed
US-8729076-B2 Secondary 8-hydroxyquinoline-7-carboxamide derivatives POLICHEM SA (LU) 2014-05-20 US disclosed
EP-2519504-B1 NEW SECONDARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES. POLICHEM SA (LU) 2014-03-19 EP disclosed
US-20120329797-A1 SECONDARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES FOR USE AS ANTIFUNGAL AGENTS POLICHEM SA (LU) 2012-12-27 US disclosed
US-20120329797-A1 SECONDARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES FOR USE AS ANTIFUNGAL AGENTS POLICHEM SA (LU) 2012-12-27 US disclosed
US-20120316167-A1 SECONDARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES POLICHEM SA (LU) 2012-12-13 US disclosed
US-20120316167-A1 SECONDARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES POLICHEM SA (LU) 2012-12-13 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
WO-2011080265-A1 SECONDARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES FOR USE AS ANTIFUNGAL AGENTS POLICHEM S.A. (LU) 2011-07-07 WO 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 (5 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 HDAC1 335/4885LMNA 2372/4885SMN1; SMN2 4831/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD HDAC1 437/4885LMNA 698/4885SMN1; SMN2 4683/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 HDAC1 390/4885LMNA 2208/4885SMN1; SMN2 4814/4885
US-20120329797-A1 SECONDARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES FOR USE AS ANTIFUNGAL AGENTS ERG28, TUBA8, CYP51A1 HDAC1 1215/4885LMNA 3608/4885SMN1; SMN2 4556/4885
US-20120316167-A1 SECONDARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES TUBA8, CYP51A1, ERG28 HDAC1 884/4885LMNA 3555/4885SMN1; SMN2 4757/4885

“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.