SCHEMBL1648632

SCHEMBL1648632

COC(=O)c1c(CBr)ccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.54
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RCE1 Q9Y256 1/20 0.43
NR4A2 P43354 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
MMP3 P08254 2/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL27876343 0.87 NCEH1 (0.56) NCEH1MAPK8MAPK9MAPK10MEN1
SCHEMBL27854517 0.83 NCEH1 (0.52) NCEH1MAPK8MAPK9MAPK10MEN1
SCHEMBL27854489 0.82 NCEH1 (0.51) NCEH1MAPK8MAPK9MAPK10MEN1
SCHEMBL9618295 0.82 PTPN1 (0.44) MEN1KMT2AHPGD
SCHEMBL9214901 0.80 MMP3 (0.40) NCEH1MEN1KMT2AMMP3MAPT
SCHEMBL6844838 0.80 KDM4E (0.53) MEN1KMT2ANR4A2HPGD
SCHEMBL2120169 0.79 PTPN1 (0.55) NCEH1MAPK8MAPK9MAPK10MEN1
SCHEMBL28421747 0.79 NCEH1 (0.57) NCEH1MEN1KMT2ARCE1NR4A2
SCHEMBL5753098 0.79 L3MBTL1 (0.48) NCEH1MAPK8MAPK9MAPK10MEN1
SCHEMBL9544732 0.78 CA12 (0.55) NR4A2LMNAMAPK1MAPTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118580225-A PRMT5-MTA synergistic inhibitor and application thereof 甘李药业股份有限公司 2024-09-03 CN disclosed
EP-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed
EP-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed
US-20160051531-A1 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-02-25 US disclosed
US-9067905-B2 Sulphone compounds and methods of making and using same ZAFGEN, INC. (US) 2015-06-30 US disclosed
US-9067905-B2 Sulphone compounds and methods of making and using same ZAFGEN, INC. (US) 2015-06-30 US disclosed
US-9067905-B2 Sulphone compounds and methods of making and using same ZAFGEN, INC. (US) 2015-06-30 US disclosed
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-02-28 US disclosed
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-02-28 US disclosed
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-02-28 US disclosed
US-20070021406-A1 New neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-01-25 US disclosed
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-6846814-B2 Neurokinin antagonists for use as medicaments ASTRA ZENECA AB (SE) 2005-01-25 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP disclosed
US-20030158170-A1 Neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2003-08-21 US disclosed
EP-1276729-A1 NEW NEUROKININ ANTAGONISTS FOR USE AS MEDICAMENTS AstraZeneca AB (SE) 2003-01-22 EP disclosed
WO-2001077089-A1 NEW NEUROKININ ANTAGONISTS FOR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2001-10-18 WO disclosed
US-6288261-B1 DRUGS FOR INHIBITION OF ENZYMES ABBOTT LABORATORIES 2001-09-11 US disclosed
WO-2000037433-A1 INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-06-29 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 (5 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP NCEH1 5/4885MAPK8 2185/4885MAPK9 2929/4885
US-20160051531-A1 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, DNPEP, STS NCEH1 230/4885MAPK8 4520/4885MAPK9 4535/4885
US-20070021406-A1 New neurokinin antagonists for use as medicaments NPSR1, HRH4, OPRL1 NCEH1 1030/4885MAPK8 3194/4885MAPK9 3861/4885
US-20030158170-A1 Neurokinin antagonists for use as medicaments BDKRB2, TACR2, TACR1 NCEH1 907/4885MAPK8 2021/4885MAPK9 2782/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS NCEH1 230/4885MAPK8 4520/4885MAPK9 4535/4885

“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.