SCHEMBL14329987

SCHEMBL14329987

CN1C(=O)c2cccc3c(N=[N+]=[N-])ccc(c23)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.55
▸ MEN1 O00255 5/20 0.55
▸ KEAP1 Q14145 4/20 0.55
▸ NFE2L2 Q16236 4/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ USP2 O75604 3/20 0.55
▸ ATM Q13315 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ POLB P06746 3/20 0.52
▸ PRMT1 Q99873 1/20 0.52
▸ PKM P14618 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ CYP1B1 Q16678 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ PABPC1 P11940 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
SCHEMBL19465787 0.86 KMT2A (0.39) KMT2AMEN1KEAP1NFE2L2KDM4E
SCHEMBL15886144 0.85 CYP1B1 (0.58) KMT2AMEN1KEAP1NFE2L2KDM4E
SCHEMBL30003710 0.85 CYP1B1 (0.58) KMT2AMEN1KEAP1NFE2L2KDM4E
SCHEMBL21670093 0.84 KMT2A (0.37) KMT2AMEN1KEAP1NFE2L2KDM4E
SCHEMBL15383768 0.83 MEN1 (0.57) KMT2AMEN1KEAP1NFE2L2KDM4E
SCHEMBL27805161 0.83 ALDH1A1 (0.44) KMT2AMEN1KEAP1NFE2L2KDM4E
SCHEMBL28566950 0.82 HEXA (0.57) KMT2AMEN1KEAP1NFE2L2KDM4E
SCHEMBL14323672 0.82 MEN1 (0.53) KMT2AMEN1KEAP1NFE2L2KDM4E
SCHEMBL30211961 0.80 TYMS (0.51) KMT2AMEN1KEAP1NFE2L2KDM4E
SCHEMBL16085321 0.79 ALDH1A1 (0.61) KMT2AMEN1KEAP1NFE2L2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212189-B2 Fluorescent probes for reactive sulfur species THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-12-15 — — US disclosed
US-20120329085-A1 FLUORESCENT PROBES FOR REACTIVE SULFUR SPECIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-27 — — 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-20120329085-A1 FLUORESCENT PROBES FOR REACTIVE SULFUR SPECIES SQOR, CBS, CTH KMT2A 4427/4885MEN1 3197/4885KEAP1 93/4885

“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.

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