SCHEMBL6468101

SCHEMBL6468101

CC(C)COc1ccccc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
GAA P10253 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ATM Q13315 1/20 0.59
HTR7 P34969 1/20 0.52
POLB P06746 1/20 0.44
HTR2C P28335 1/20 0.44
TLR8 Q9NR97 1/20 0.44
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
GRM4 Q14833 1/20 0.41

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
SCHEMBL29671577 1.00 KMT2A (0.59) KMT2AMEN1GAASMN1; SMN2ATM
SCHEMBL4334443 0.84 ALDH1A1 (0.55) KMT2AMEN1GAASMN1; SMN2ATM
SCHEMBL5362724 0.84 KMT2A (0.53) KMT2AMEN1GAASMN1; SMN2ATM
SCHEMBL1496589 0.84 KMT2A (0.60) KMT2AMEN1GAASMN1; SMN2ATM
SCHEMBL16180345 0.84 KMT2A (0.53) KMT2AMEN1GAASMN1; SMN2ATM
SCHEMBL263217 0.84 KMT2A (0.53) KMT2AMEN1GAASMN1; SMN2ATM
SCHEMBL11565366 0.84 KMT2A (0.53) KMT2AMEN1GAASMN1; SMN2ATM
SCHEMBL5362727 0.84 KMT2A (0.53) KMT2AMEN1GAASMN1; SMN2ATM
SCHEMBL27514088 0.82 KMT2A (0.51) KMT2AMEN1GAASMN1; SMN2ATM
SCHEMBL5371216 0.81 HTR7 (0.54) KMT2AMEN1GAASMN1; SMN2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106008375-A Preparation method of novel liquid crystal display enhancing luminescence agent 昆山海卓生物医药有限公司 2016-10-12 CN disclosed
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed
CN-102079731-A Method for synthesizing 2-(3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazole formic acid SHANGHAI HECHEN MEDICAL ENGINEERING CO LTD 2011-06-01 CN disclosed
US-20050038019-A1 Hydroxy substituted amides for the treatment of alzheimer's disease PHARMACIA & UPJOHN 2005-02-17 US disclosed
EP-1443923-A1 HYDROXY SUBSTITUTED AMIDES FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-11 EP disclosed
WO-2003037325-A1 HYDROXY SUBSTITUTED AMIDES FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-08 WO disclosed
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
US-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
US-5747540-A ENZYME INHIBITORS HYDROXY INDOLEAMIDES, COUMARIN AMIDES AND ISOTHIOCOUMARIN AMIDES MERCK & CO., INC. (US) 1998-05-05 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO 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-20050038019-A1 Hydroxy substituted amides for the treatment of alzheimer's disease BACE1, APP, BACE2 KMT2A 1547/4885MEN1 3526/4885GAA 31/4885

“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.