SCHEMBL432927

SCHEMBL432927

O=Cc1ccc(OCc2ccncc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
KDM4E B2RXH2 4/20 0.57
RAB9A P51151 2/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
TLR4 O00206 1/20 0.46
TLR2 O60603 1/20 0.46
NPC1 O15118 2/20 0.45
F2 P00734 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP27B1 O15528 1/20 0.45
CYP24A1 Q07973 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL11614936 0.87 RAB9A (0.69) ALDH1A1SMN1; SMN2KDM4ERAB9AMEN1
SCHEMBL23223734 0.87 RAB9A (0.69) ALDH1A1SMN1; SMN2KDM4ERAB9AMEN1
SCHEMBL21821866 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4ERAB9AMEN1
SCHEMBL158270 0.81 RAB9A (0.68) ALDH1A1SMN1; SMN2KDM4ERAB9AMAPT
SCHEMBL7323498 0.80 MAOA (0.74) ALDH1A1SMN1; SMN2KDM4ERAB9AMEN1
SCHEMBL7865894 0.80 MAPK1 (0.56) ALDH1A1SMN1; SMN2KDM4ERAB9AMEN1
SCHEMBL865349 0.80 RAB9A (0.71) ALDH1A1SMN1; SMN2KDM4ERAB9AMAPT
SCHEMBL8589028 0.80 RAB9A (0.61) ALDH1A1SMN1; SMN2KDM4ERAB9AMEN1
SCHEMBL27696302 0.79 F2 (0.54) ALDH1A1SMN1; SMN2KDM4ERAB9AMEN1
SCHEMBL16295330 0.79 MAOB (0.67) ALDH1A1SMN1; SMN2KDM4ERAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575150-B2 Triazole derivatives for treatment of Alzheimer's disease MERCK SHARP & DOHME CORP. (US) 2013-11-05 US disclosed
US-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2012-01-26 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
EP-1940823-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 EP disclosed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 WO disclosed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 WO disclosed
WO-2006083266-A1 INHIBITORS OF BACTERIAL TYPE III PROTEIN SECRETION SYSTEMS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-10 WO disclosed
US-20050250819-A1 Inhibitors of bacterial type III protein secretion systems JANSSEN PHARMACEUTICA, N.V. (BE) 2005-11-10 US disclosed
US-6300501-B1 Histidine-(N-benzyl glycinamide) inhibitors of protein farnesyl transferase WARNER-LAMBERT COMPANY 2001-10-09 US disclosed
EP-0938494-A1 INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1999-09-01 EP disclosed
WO-1997044350-A1 INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-11-27 WO disclosed
EP-0605524-A1 ANTIBACTERIAL, ANTIMYCOPLASMAL COMPOUNDS RELATED TO MUPIROCIN SMITHKLINE BEECHAM PLC (GB) 1994-07-13 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-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MAPT, BACE1, APP ALDH1A1 645/4885SMN1; SMN2 2221/4885KDM4E 4006/4885
US-20050250819-A1 Inhibitors of bacterial type III protein secretion systems PSMB3, GBA3, PSMG3 ALDH1A1 4837/4885SMN1; SMN2 4875/4885KDM4E 4305/4885
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AGTR1, AGTR2, AHR ALDH1A1 60/4885SMN1; SMN2 2592/4885KDM4E 1737/4885

“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.