SCHEMBL2231079

SCHEMBL2231079

CCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
POLB P06746 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GPR35 Q9HC97 1/20 0.51
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
CASP6 P55212 1/20 0.51
PTPN11 Q06124 1/20 0.51
HPGD P15428 2/20 0.50
MAPT P10636 1/20 0.50
PARP14 Q460N5 1/20 0.49
ALDH1A1 P00352 6/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.41
NPC1 O15118 1/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL7929918 0.86 KDM4E (0.55) KDM4EPOLBRAB9ASMN1; SMN2MEN1
SCHEMBL2523027 0.84 KDM4E (0.53) KDM4EPOLBRAB9ASMN1; SMN2MEN1
SCHEMBL2521606 0.84 SMN1; SMN2 (0.53) KDM4EPOLBRAB9ASMN1; SMN2MEN1
SCHEMBL27819764 0.83 EP300 (0.55) KDM4EPOLBRAB9ASMN1; SMN2MEN1
SCHEMBL2228797 0.82 KDM4E (0.61) KDM4EPOLBRAB9ASMN1; SMN2MEN1
SCHEMBL2353928 0.80 KDM4E (0.58) KDM4EPOLBRAB9ASMN1; SMN2MEN1
SCHEMBL3771486 0.80 PARP14 (0.54) KDM4EPOLBRAB9ASMN1; SMN2MEN1
SCHEMBL11729407 0.80 KDM4E (0.49) KDM4EPOLBRAB9ASMN1; SMN2MEN1
SCHEMBL4263785 0.79 ALDH1A1 (0.61) POLBRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2229406 0.79 KDM4E (0.51) KDM4EPOLBRAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397257-A1 COMPOSITIONS AND NETHODS FOR TREATING BRAIN DYSFUNCTION Bach Pharma, Inc. (US) 2018-11-07 EP claimed
US-9968602-B2 Modulation of cell fates and activities by phthalazinediones BACH PHARMA, INC. (US) 2018-05-15 US claimed
WO-2017117586-A1 COMPOSITIONS AND NETHODS FOR TREATING BRAIN DYSFUNCTION BACH PHARMA, INC. (US) 2017-07-06 WO 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
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
US-20050288291-A1 Modulation of cell fates and activities by phthalazinediones BACH PHARMA, INC. (US) 2005-12-29 US claimed
US-12246068-B2 Enzymatically activatable peptide-redox modulator conjugates and use thereof BRANDEIS UNIVERSITY (US) 2025-03-11 US disclosed
WO-2018129171-A1 ENZYMATICALLY ACTIVATABLE PEPTIDE-REDOX MODULATOR CONJUGATES AND USE THEREOF BRANDEIS UNIVERSITY (US) 2018-07-12 WO disclosed
US-20070142303-A1 Modulation of cell fates and activities by phthalazinediones BACH PHARMA, INC. (US) 2007-06-21 US disclosed
WO-2007018546-A1 MODULATION OF CELL FATES AND ACTIVITIES BY PHTHALAZINEDIONES BACH PHARMA, INC. (US) 2007-02-15 WO disclosed
US-20050288291-A1 Modulation of cell fates and activities by phthalazinediones BACH PHARMA, INC. (US) 2005-12-29 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-12246068-B2 Enzymatically activatable peptide-redox modulator conjugates and use thereof GPX1, GPX4, ENPEP KDM4E 3286/4885POLB 2945/4885RAB9A 2101/4885

“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.