SCHEMBL1680607

SCHEMBL1680607

NCc1ccc(OCc2ccccc2)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.59
P4HTM Q9NXG6 1/20 0.55
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
MAOA P21397 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALOX5 P09917 1/20 0.47
PARP10 Q53GL7 1/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL21503567 0.83 MAOB (0.65) MAOBRAB9APARP10CA12CA1
SCHEMBL30294949 0.83 MAOB (0.63) MAOBMAPTRAB9ASMN1; SMN2
SCHEMBL21121111 0.83 MAOB (0.63) MAOBMAPTRAB9ASMN1; SMN2
SCHEMBL1680409 0.83 MAOB (0.54) MAOBGAAMAPTMAOARAB9A
SCHEMBL20406077 0.83 P4HTM (0.55) MAOBP4HTMGAAMAPTMAOA
SCHEMBL226721 0.83 P4HTM (0.59) MAOBP4HTMGAAMAPTMAOA
SCHEMBL13571093 0.83 P4HTM (0.55) MAOBP4HTMGAAMAPTMAOA
SCHEMBL510634 0.83 P4HTM (0.55) MAOBP4HTMGAAMAPTMAOA
SCHEMBL1572841 0.81 P4HTM (0.54) MAOBP4HTMGAAMAPTMAOA
Hydrochloric Acid SCHEMBL2306614 0.81 P4HTM (0.54) MAOBP4HTMGAAMAPTMAOA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402873-A1 NOVEL P62 LIGAND COMPOUND, AND COMPOSITION CONTAINING SAME FOR PREVENTING, AMELIORATING, OR TREATING PROTEINOPATHIES AUTOTAC INC. (KR) 2022-12-22 US disclosed
US-20220402873-A1 NOVEL P62 LIGAND COMPOUND, AND COMPOSITION CONTAINING SAME FOR PREVENTING, AMELIORATING, OR TREATING PROTEINOPATHIES AUTOTAC INC. (KR) 2022-12-22 US disclosed
WO-2021054804-A1 NOVEL P62 LIGAND COMPOUND, AND COMPOSITION CONTAINING SAME FOR PREVENTING, AMELIORATING, OR TREATING PROTEINOPATHIES 주식회사 오토텍바이오 2021-03-25 WO disclosed
WO-2021054804-A1 NOVEL P62 LIGAND COMPOUND, AND COMPOSITION CONTAINING SAME FOR PREVENTING, AMELIORATING, OR TREATING PROTEINOPATHIES 주식회사 오토텍바이오 2021-03-25 WO 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-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 (4 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 MAOB 1175/4885P4HTM 1321/4885GAA 400/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD MAOB 2220/4885P4HTM 1740/4885GAA 2314/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 MAOB 1205/4885P4HTM 1432/4885GAA 438/4885
US-20220402873-A1 NOVEL P62 LIGAND COMPOUND, AND COMPOSITION CONTAINING SAME FOR PREVENTING, AMELIORATING, OR TREATING PROTEINOPATHIES SQSTM1, ATG7, ATG13 MAOB 4713/4885P4HTM 2287/4885GAA 303/4885

“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.