SCHEMBL13508330

SCHEMBL13508330

CC(C)(C)/C=C/c1ccc(Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KMT2A Q03164 2/20 0.33
PPARA Q07869 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
G6PC1 P35575 1/20 0.33
PSMD14 O00487 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL21654043 0.77 MAPT (0.48) PTGS1PTGS2KMT2AMEN1MAPK1
SCHEMBL8284900 0.76
SCHEMBL20169770 0.75 MAPK1 (0.58) KMT2AMAPK1ALDH1A1
SCHEMBL21654054 0.75 ALDH1A1 (0.47) KMT2AMAPK1ALDH1A1
SCHEMBL21654123 0.72 ALDH1A1 (0.44) KMT2AMEN1MAPK1SMN1; SMN2NPC1
SCHEMBL21653993 0.71 MAPK1 (0.34) KMT2AMAPK1
SCHEMBL1987243 0.70
SCHEMBL12750346 0.69 ALDH1A1 (0.46) KMT2AMAPK1ALDH1A1
SCHEMBL9520363 0.69 MAOA (0.51) PTGS1PTGS2MAOAMAOBKMT2A
SCHEMBL9520373 0.69 MAOA (0.51) PTGS1PTGS2MAOAMAOBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10993938-B2 Lactam compound, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-05-04 US disclosed
US-20200030312-A1 Lactam Compound, Preparation Method and Use thereof OCEAN UNIVERSITY OF CHINA (CN) 2020-01-30 US disclosed
US-9101628-B2 Methods and composition of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-08-11 US disclosed
US-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 US disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 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 (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-20200030312-A1 Lactam Compound, Preparation Method and Use thereof FURIN, PEPD, PIN1 PTGS1 3650/4885PTGS2 4120/4885MAOA 1717/4885
US-10993938-B2 Lactam compound, preparation method and use thereof FURIN, PEPD, PIN1 PTGS1 3650/4885PTGS2 4120/4885MAOA 1717/4885
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 PTGS1 3133/4885PTGS2 3038/4885MAOA 2264/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 PTGS1 1598/4885PTGS2 1338/4885MAOA 3071/4885

“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.