SCHEMBL4956575

SCHEMBL4956575

CC(=O)Nc1cccc2c1C(=O)N=NC2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.59
ALDH1A1 P00352 3/20 0.58
HPGD P15428 2/20 0.58
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CASP3 P42574 1/20 0.55
AHR P35869 1/20 0.52
CCNE2 O96020 11/20 0.51
CCNE1 P24864 11/20 0.51
CDK2 P24941 11/20 0.51
CDK4 P11802 5/20 0.47
CCND1 P24385 5/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL4956841 0.83 MAPT (0.59) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL4958351 0.79 MAPT (0.34) MAOAALDH1A1HPGDKDM4EGAA
SCHEMBL4958613 0.79 MAPT (0.55) MAOAALDH1A1HPGDKDM4EGAA
SCHEMBL4958290 0.79 EGFR (0.34) MAOAALDH1A1HPGDKDM4EGAA
SCHEMBL20334273 0.79 MAOA (0.90) MAOAALDH1A1HPGDKDM4EGAA
SCHEMBL29986841 0.77 MAOA (0.87) MAOAALDH1A1HPGDKDM4EGAA
SCHEMBL4956547 0.75 EGFR (0.37) MAOAALDH1A1HPGDKDM4EGAA
SCHEMBL4954966 0.75 EGFR (0.34) MAOAALDH1A1HPGDKDM4EGAA
SCHEMBL4954958 0.75 MAPT (0.34) MAOAALDH1A1HPGDKDM4EGAA
SCHEMBL4956778 0.75 EGFR (0.34) MAOAALDH1A1HPGDKDM4EGAA

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-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
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-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

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 MAOA 1166/4885ALDH1A1 777/4885HPGD 182/4885

“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.