SCHEMBL6044572

SCHEMBL6044572

COCCCOc1cc(Br)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
KMT2A Q03164 3/20 0.46
SMPD1 P17405 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
ALOX15 P16050 2/20 0.42
ALOX12 P18054 1/20 0.42
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
AR P10275 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RET P07949 1/20 0.37
KIF5B P33176 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL17695718 0.84 SMPD1 (0.52) KDM4EKMT2ASMPD1SMN1; SMN2NPC1
SCHEMBL21823731 0.82 HPGD (0.55) KDM4EKMT2ASMPD1SMN1; SMN2NPC1
SCHEMBL842107 0.81 MAPT (0.50) KDM4EKMT2ASMPD1SMN1; SMN2NPC1
SCHEMBL429553 0.81 KDM4E (0.50) KDM4EKMT2ASMN1; SMN2NPC1LMNA
SCHEMBL17893778 0.81 L3MBTL1 (0.53) KDM4EKMT2ASMN1; SMN2NPC1LMNA
SCHEMBL29521181 0.81 MAPT (0.50) KDM4EKMT2ASMPD1SMN1; SMN2NPC1
SCHEMBL7952196 0.81 TSHR (0.46) KDM4EKMT2ASMPD1SMN1; SMN2NPC1
SCHEMBL16981277 0.80 IDO1 (0.49) KDM4EKMT2ASMPD1SMN1; SMN2LMNA
SCHEMBL7954853 0.80 TAAR1 (0.42) SMPD1LMNAALOX15ALOX12AR
SCHEMBL21043305 0.80 KDM4E (0.44) KDM4EKMT2ASMN1; SMN2NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017114812-A1 COMBINATION THERAPY OF AN HBSAG INHIBITOR AND AN INTERFERON F. HOFFMANN-LA ROCHE AG (CH) 2017-07-06 WO disclosed
WO-2017016921-A1 NEW CRYSTALLINE FORMS OF (6S)-10-METHOXY-6-ISOPROPYL-9-(3-METHOXYPROPOXY)-2-OXO-6,7-DIHYDROBENZO[A]QUINOLIZINE-3-CARBOXYLIC ACID F. HOFFMANN-LA ROCHE AG (CH) 2017-02-02 WO disclosed
WO-2017016960-A1 PROCESS FOR THE PREPARATION OF (6S)-6-ALKYL-10-ALKOXY-9-(SUBSTITUTED ALKOXY)-2-OXO-6,7-DIHYDROBENZO[A]QUINOLIZINE-3-CARBOXYLIC ACID ANALOGUES F. HOFFMANN-LA ROCHE AG (CH) 2017-02-02 WO disclosed
CN-1266118-C Novel delta-amino-gamma-hydroxy-omega-aryl-alkanoic acid amides NOVARTIS AG (CH) 2006-07-26 CN disclosed
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 US disclosed
CN-1550491-A Novel delta-amino-gamma-hydroxy-omega-aryl-alkanoic acid amides ��˹��ŵ�� 2004-12-01 CN disclosed
CN-1153759-C Novel delta-amino-gamma hydroxy-omega-aryl-alkanamides ��˹��ŵ�� 2004-06-16 CN disclosed
WO-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
EP-0678503-B1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities NOVARTIS AG (CH) 1999-09-01 EP disclosed
US-5705658-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-01-06 US disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5627182-A RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS CIBA GEIGY CORPORATION (US) 1997-05-06 US disclosed
US-5606078-A ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-02-25 US disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 US disclosed
CN-1117960-A Novel delta-amino-gamma hydroxy-omega-aryl-alkanamides CIBA GEIGY AG (CH) 1996-03-06 CN disclosed
EP-0678514-A1 3,5-Disubstituted tetrahydrofuran-2-ones CIBA-GEIGY AG (CH) 1995-10-25 EP disclosed
EP-0678503-A1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities CIBA-GEIGY AG (CH) 1995-10-25 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 (1 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-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides BACE1, APP, PSEN1 KDM4E 1610/4885KMT2A 2294/4885SMPD1 117/4885

“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.