SCHEMBL1758619

SCHEMBL1758619

Cc1ccc(C)c(NC=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 2/20 0.50
RAPGEF4 Q8WZA2 1/20 0.48
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
HCRTR1 O43613 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
TP53 P04637 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
SCHEMBL10972629 0.83 MEN1 (0.50) MEN1KMT2ARAPGEF4ALDH1A1HTT
SCHEMBL2093389 0.83 MEN1 (0.50) MEN1KMT2ARAPGEF4ALDH1A1HTT
SCHEMBL9597648 0.81 ALDH1A1 (0.41) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL14549536 0.79 HPGD (0.40) MEN1KMT2AGAARAPGEF4KDM4E
SCHEMBL19451888 0.79 HPGD (0.40) MEN1KMT2AGAARAPGEF4KDM4E
SCHEMBL1758506 0.79 ALDH1A1 (0.54) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL9423674 0.79 KDM5A (0.58) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL1758468 0.79 RAB9A (0.53) MEN1KMT2AGAARAPGEF4ALDH1A1
SCHEMBL9138744 0.79 ALDH1A1 (0.46) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL18228323 0.79 MEN1 (0.37) MEN1KMT2AGAARAPGEF4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008017840-A1 CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIOUS DISEASES MERLION PHARMACEUTICALS SA (CH) 2008-02-14 WO claimed
US-6797820-B2 HYDROXAMATE DERIVATIVES THAT INHIBIT PEPTIDYL DEFORMYLASE (PDF), ANTIMICROBIALS AND ANTIBIOTICS VICURON PHARMACEUTICALS INC. 2004-09-28 US claimed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP claimed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-2493886-B1 HETEROARYL PIPERIDINE AND PIPERAZINE DERIVATES BAYER CROPSCIENCE AG (DE) 2014-11-26 EP disclosed
WO-2013129674-A1 NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF 学校法人兵庫医科大学 (JP) 2013-09-06 WO disclosed
US-8501781-B2 Heteroarylpiperidine and -piperazine derivatives BAYER CROPSCIENCE AG (DE) 2013-08-06 US disclosed
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-11-01 US disclosed
EP-2493886-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES Bayer CropScience AG (DE) 2012-09-05 EP disclosed
US-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives BAYER CROPSCIENCE AG (DE) 2011-12-15 US disclosed
US-5455140-A Image quality, preferred hues EASTMAN KODAK COMPANY (US) 1995-10-03 US disclosed
US-5447819-A Photographic element containing high dye-yield couplers having improved reactivity EASTMAN KODAK COMPANY (US) 1995-09-05 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 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 (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-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives CAT, DPM1, ERG28 MEN1 3204/4885KMT2A 671/4885GAA 533/4885
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 MEN1 4076/4885KMT2A 1690/4885GAA 1773/4885
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation PDF, MMP2, SDHA MEN1 4054/4885KMT2A 3044/4885GAA 254/4885

“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.