SCHEMBL2095091

SCHEMBL2095091

COC(=O)Nc1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.67
ALDH1A1 P00352 2/20 0.61
MAPT P10636 4/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
HTT P42858 3/20 0.59
MAPK1 P28482 2/20 0.59
ATM Q13315 1/20 0.58
HPGD P15428 1/20 0.56
LMNA P02545 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
POLB P06746 1/20 0.53
FAAH O00519 1/20 0.53
TGM2 P21980 1/20 0.52
XBP1 P17861 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52

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
SCHEMBL9609808 0.89 SMN1; SMN2 (0.82) SMN1; SMN2ALDH1A1MAPTKMT2ANPC1
SCHEMBL15996876 0.85 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL29191732 0.83 MEN1 (0.60) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL7251623 0.82 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL2095089 0.81 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL2291115 0.81 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL632848 0.80 MEN1 (0.54) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL17904708 0.80 NPC1 (0.67) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL2097995 0.80 MAPT (0.70) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL2097993 0.80 RAB9A (0.50) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508473-B1 METHOD FOR PRODUCING CARBAMIC ACID ESTER AIST (JP) 2021-05-26 EP disclosed
WO-2020251953-A1 STREPTOGRAMIN COMPOSITIONS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-17 WO disclosed
US-10752579-B2 Production method of carbamic acid ester NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2020-08-25 US disclosed
US-10556889-B1 Salvinorin derivatives Blue Sky Pharmaceuticals, LLC (US) 2020-02-11 US disclosed
EP-3508473-A1 METHOD FOR PRODUCING CARBAMIC ACID ESTER National Institute of Advanced Industrial Science and Technology (JP) 2019-07-10 EP disclosed
US-20190185420-A1 PRODUCTION METHOD OF CARBAMIC ACID ESTER NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2019-06-20 US disclosed
CN-109641835-A Method for producing carbamate 国立研究开发法人产业技术综合研究所 2019-04-16 CN disclosed
EP-3309148-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2018-04-18 EP disclosed
EP-2766346-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-03-29 EP disclosed
US-20160194274-A1 PHENANTHRENE DERIVATIVES FOR USE AS MEDICAMENTS VALENTIA BIOPHARMA (ES) 2016-07-07 US disclosed
US-20090221515-A1 MONOSACCHARIDE DERIVATIVES RANBAXY LABORATORIES INC. (IN) 2009-09-03 US disclosed
US-20090221515-A1 MONOSACCHARIDE DERIVATIVES RANBAXY LABORATORIES INC. (IN) 2009-09-03 US disclosed
US-20090048186-A1 Monosaccharide Derivatives as Anti-Inflammatory and/or Anti-Cancer Agents RANBAXY LABORATORIES LIMITED (IN) 2009-02-19 US disclosed
US-20090048186-A1 Monosaccharide Derivatives as Anti-Inflammatory and/or Anti-Cancer Agents RANBAXY LABORATORIES LIMITED (IN) 2009-02-19 US disclosed
WO-2008150447-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-12-11 WO disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
US-4298731-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1981-11-03 US 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 (7 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-20090048186-A1 Monosaccharide Derivatives as Anti-Inflammatory and/or Anti-Cancer Agents HLA-DRB1, MUC1, ASGR1 SMN1; SMN2 4758/4885ALDH1A1 605/4885MAPT 1151/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 SMN1; SMN2 3787/4885ALDH1A1 412/4885MAPT 4299/4885
US-10556889-B1 Salvinorin derivatives OPRD1, OPRK1, OPRL1 SMN1; SMN2 1186/4885ALDH1A1 866/4885MAPT 4659/4885
US-20190185420-A1 PRODUCTION METHOD OF CARBAMIC ACID ESTER CA2, CA7, CA4 SMN1; SMN2 3068/4885ALDH1A1 3215/4885MAPT 2148/4885
US-20090221515-A1 MONOSACCHARIDE DERIVATIVES HLA-DRB1, MUC1, FUT5 SMN1; SMN2 4797/4885ALDH1A1 402/4885MAPT 1370/4885
US-10752579-B2 Production method of carbamic acid ester CA2, CA7, CA4 SMN1; SMN2 3068/4885ALDH1A1 3215/4885MAPT 2148/4885
US-20160194274-A1 PHENANTHRENE DERIVATIVES FOR USE AS MEDICAMENTS HTT, TARDBP, ATXN2 SMN1; SMN2 12/4885ALDH1A1 2216/4885MAPT 288/4885

“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.