SCHEMBL161036

SCHEMBL161036

CC(C)COc1c[c]ccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MAPT P10636 5/20 0.39
HPGD P15428 4/20 0.39
POLB P06746 3/20 0.39
XBP1 P17861 1/20 0.39
MAOA P21397 1/20 0.38
PTGS1 P23219 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX12 P18054 1/20 0.36
PDK2 Q15119 1/20 0.36
TRIM24 O15164 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
MTNR1A P48039 3/20 0.34

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
SCHEMBL3581529 0.85 LMNA (0.61) LMNAMAOAPTGS1MEN1KMT2A
SCHEMBL17134101 0.85 LMNA (0.39) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL920817 0.84 FFAR1 (0.42) LMNAMAPTMAOAPTGS1MTNR1A
SCHEMBL6297201 0.82 LMNA (0.44) LMNAMAOAPTGS1MEN1KMT2A
SCHEMBL6296437 0.82 LMNA (0.44) LMNAMAOAPTGS1MEN1KMT2A
SCHEMBL6297192 0.82 LMNA (0.44) LMNAMAOAPTGS1MEN1KMT2A
SCHEMBL6293316 0.82 LMNA (0.44) LMNAMAOAPTGS1MEN1KMT2A
SCHEMBL920579 0.81 TDP1 (0.49) HPGDPDK2NR1H4
SCHEMBL3610873 0.81 LMNA (0.33) LMNAMAOAPTGS1
SCHEMBL3207849 0.80 TDP1 (0.40) HPGDPDK2ALDH1A1NPC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106232120-B Process for preparing N-benzyl-3-hydroxy-4-substituted-pyridin-2- (1H) -ones 爱尔皮奥治疗有限公司 2021-01-08 CN claimed
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US claimed
CN-106554325-B A kind of preparation method of chirality benzene sulfinyl aminated compounds 上海交通大学 2019-02-22 CN claimed
EP-3400231-A1 AMINOGLYCOSIDE DERIVATIVES AND USES THEREOF IN TREATING MICROBIAL INFECTIONS Technion Research & Development Foundation Limited (IL) 2018-11-14 EP claimed
EP-3344641-A1 AMINOGLYCOSIDE DERIVATIVES AND USES THEREOF IN TREATING GENETIC DISORDERS Eloxx Pharmaceuticals Ltd. (IL) 2018-07-11 EP claimed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US claimed
WO-2017118967-A1 AMINOGLYCOSIDE DERIVATIVES AND USES THEREOF IN TREATING MICROBIAL INFECTIONS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2017-07-13 WO claimed
WO-2017037719-A1 AMINOGLYCOSIDE DERIVATIVES AND USES THEREOF IN TREATING GENETIC DISORDERS ELOXX PHARMACEUTICALS LTD. (IL) 2017-03-09 WO claimed
CN-106232120-A The method preparing N benzyl 3 hydroxyl 4 substituted pyridine 2 (1H) ketone 爱尔皮奥治疗有限公司 2016-12-14 CN claimed
CN-101146786-A Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2008-03-19 CN claimed
EP-1836179-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 EP claimed
US-20060173184-A1 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-03 US claimed
WO-2006074025-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO claimed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-0536896-B1 Imidazolidyl macrolides having immunosuppressive activity MERCK & CO INC (US) 1997-12-17 EP claimed
US-5247076-A IMIDAZOLIDYL MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO., INC. (US) 1993-09-21 US claimed
EP-0536896-A1 Imidazolidyl macrolides having immunosuppressive activity MERCK & CO. INC. (US) 1993-04-14 EP claimed
WO-1993005059-A1 IMIDAZOLIDYL MACROLIDES MERCK & CO., INC. (US) 1993-03-18 WO claimed

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-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 LMNA 1579/4885MAPT 519/4885HPGD 321/4885
US-20060173184-A1 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase FAAH, FAAH2, USP47 LMNA 2292/4885MAPT 843/4885HPGD 1075/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 LMNA 923/4885MAPT 268/4885HPGD 173/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 LMNA 923/4885MAPT 268/4885HPGD 173/4885

“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.