SCHEMBL2230531

SCHEMBL2230531

CN(C)c1cccc2c(=O)[nH][nH]c(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 8/20 0.47
MAPT P10636 6/20 0.47
GAA P10253 3/20 0.47
TSHR P16473 1/20 0.46
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
POLB P06746 2/20 0.44
ALOX5 P09917 1/20 0.41
LMNA P02545 3/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DAO P14920 1/20 0.40
CA2 P00918 1/20 0.40
AR P10275 1/20 0.39
NSD2 O96028 1/20 0.38
EGFR P00533 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL22525079 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTTSHRKMT2A
SCHEMBL4572048 0.78 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL8055505 0.73 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL4115828 0.71 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL24619693 0.69 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL10485055 0.69 DAO (0.64) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL182680 0.69 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTTSHRKMT2A
SCHEMBL20086 0.69 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTTSHRKMT2A
SCHEMBL30645155 0.69 DAO (0.64) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL11412380 0.69 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210161890-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN DYSFUNCTION BACH PHARMA, INC. 2021-06-03 US claimed
US-9968602-B2 Modulation of cell fates and activities by phthalazinediones BACH PHARMA, INC. (US) 2018-05-15 US claimed
US-20140030317-A1 MODULATION OF CELL FATES AND ACTIVITIES BY PHTHALAZINEDIONES Occhiuti & Rohlicek LLP 2014-01-30 US claimed
EP-2398325-A1 METHODS OF TREATING INTESTINAL DISEASES AND INFLAMMATORY CONDITIONS RELATED TO HIV-AIDS Bach Pharma, Inc. (US) 2011-12-28 EP claimed
EP-2346522-A1 METHODS OF MODULATING PROTEIN HOMEOSTASIS, METABOLIC SYNDROME, HEAVY METAL INTOXICATION AND NRF2 TRANSCRIPTION FACTORS Bach Pharma, Inc. (US) 2011-07-27 EP claimed
US-20100255077-A1 METHODS OF TREATING INTESTINAL DISEASES AND INFLAMMATORY CONDITIONS RELATED TO HIV-AIDS BACH PHARMA, INC. (US) 2010-10-07 US claimed
WO-2010096686-A1 METHODS OF TREATING INTESTINAL DISEASES AND INFLAMMATORY CONDITIONS RELATED TO HIV-AIDS BACH PHARMA, INC. (US) 2010-08-26 WO claimed
US-20100086531-A1 METHODS OF MODULATING PROTEIN HOMEOSTASIS, METABOLIC SYNDROME, HEAVY METAL INTOXICATION AND Nrf2 TRANSCRIPTION FACTORS BACH PHARMA INC. (US) 2010-04-08 US claimed
US-7691819-B2 Modulation of cell fates and activities by phthalazinediones BACH PHARMA, INC. (US) 2010-04-06 US claimed
WO-2010036711-A1 METHODS OF MODULATING PROTEIN HOMEOSTASIS, METABOLIC SYNDROME, HEAVY METAL INTOXICATION AND NRF2 TRANSCRIPTION FACTORS BACH PHARMA INC. (US) 2010-04-01 WO claimed
US-20090036411-A1 MODULATION OF CELL FATES AND ACTIVITIES BY PHTHALAZINEDIONES BACH PHARMA, INC. (US) 2009-02-05 US claimed
EP-1924274-A4 MODULATION OF CELL FATES AND ACTIVITIES BY PHTHALAZINEDIONES BACH PHARMA INC (US) 2008-10-08 EP claimed
EP-1924274-A1 MODULATION OF CELL FATES AND ACTIVITIES BY PHTHALAZINEDIONES Bach Pharma, Inc (US) 2008-05-28 EP claimed
US-7326690-B2 Modulation of cell fates and activities by phthalazinediones BACH PHARMA, INC. (US) 2008-02-05 US claimed
US-20070142303-A1 Modulation of cell fates and activities by phthalazinediones BACH PHARMA, INC. (US) 2007-06-21 US claimed
WO-2007018546-A1 MODULATION OF CELL FATES AND ACTIVITIES BY PHTHALAZINEDIONES BACH PHARMA, INC. (US) 2007-02-15 WO claimed
US-20050288291-A1 Modulation of cell fates and activities by phthalazinediones BACH PHARMA, INC. (US) 2005-12-29 US claimed
US-4207112-A STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1980-06-10 US claimed
US-20210161890-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN DYSFUNCTION BACH PHARMA, INC. 2021-06-03 US disclosed
US-4076534-A Heat developable light-sensitive material FUJI PHOTO FILM CO., LTD. (JA) 1978-02-28 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 (1 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-20210161890-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN DYSFUNCTION GRIK5, PMP22, GRIN2A ALDH1A1 1868/4885KDM4E 932/4885MAPT 22/4885

“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.