SCHEMBL8401986

SCHEMBL8401986

COc1cc(N=O)c2ncccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
KMT2A Q03164 10/20 0.50
MEN1 O00255 9/20 0.50
TDP1 Q9NUW8 5/20 0.50
SLC40A1 Q9NP59 3/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
CXCR2 P25025 1/20 0.48
AGTR1 P30556 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSP90AA1 P07900 3/20 0.47
HSP90AB1 P08238 3/20 0.47
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL18434372 0.84 CYP1A2 (0.61) CYP1A2KMT2AMEN1TDP1SLC40A1
SCHEMBL12047094 0.84 CYP1A2 (0.46) CYP1A2KMT2AMEN1TDP1SLC40A1
SCHEMBL12047079 0.79 PSMD14 (0.57) CYP1A2KMT2AMEN1TDP1SLC40A1
SCHEMBL8401985 0.79 CYP3A4 (0.51) CYP1A2KMT2AMEN1SLC40A1ALDH1A1
SCHEMBL8404767 0.77 PDE4A (0.48) CYP1A2KMT2AMEN1TDP1SLC40A1
SCHEMBL12047072 0.77 SLC40A1 (0.46) KMT2AMEN1TDP1SLC40A1ALDH1A1
SCHEMBL29828916 0.77 CYP1A2 (0.52) CYP1A2KMT2AMEN1TDP1SLC40A1
SCHEMBL4810431 0.77 CYP1A2 (0.52) CYP1A2KMT2AMEN1TDP1SLC40A1
SCHEMBL1556194 0.77 CYP1A2 (0.52) CYP1A2KMT2AMEN1TDP1SLC40A1
SCHEMBL13219481 0.77 CYP1A2 (0.52) CYP1A2KMT2AMEN1TDP1SLC40A1

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-20110306631-A1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER NOSCIRA, S.A. (ES) 2011-12-15 US disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 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 (2 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-20110306631-A1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER HTT, PFN1, PSEN1 CYP1A2 2163/4885KMT2A 104/4885MEN1 361/4885
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 CYP1A2 2939/4885KMT2A 37/4885MEN1 3832/4885

“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.