SCHEMBL13380986

SCHEMBL13380986

N=C(N)N/N=C/c1nccc2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCOA3 Q9Y6Q9 3/20 0.77
▸ NCOA1 Q15788 2/20 0.51
▸ PLAU P00749 2/20 0.45
▸ PLG P00747 1/20 0.45
▸ RRM2 P31350 2/20 0.43
▸ RRM1 P23921 1/20 0.43
▸ RRM2B Q7LG56 1/20 0.43
▸ CISD1 Q9NZ45 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ F12 P00748 1/20 0.41
▸ NCF1 P14598 1/20 0.41
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ BACE1 P56817 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
SCHEMBL31237388 0.87 NCOA3 (1.00) NCOA3NCOA1RRM2RRM1RRM2B
SCHEMBL782069 0.87 NCOA3 (1.00) NCOA3NCOA1RRM2RRM1RRM2B
SCHEMBL13927328 0.87 NCOA3 (1.00) NCOA3NCOA1RRM2RRM1RRM2B
SCHEMBL29773648 0.87 NCOA3 (1.00) NCOA3NCOA1RRM2RRM1RRM2B
SCHEMBL29773638 0.79 NCOA3 (0.71) NCOA3NCOA1RRM2MAPTKDM4E
SCHEMBL21649903 0.79 NCOA3 (0.64) NCOA3RRM1MAPTKDM4EGAA
SCHEMBL29773611 0.78 NCOA3 (0.70) NCOA3NCOA1RRM2RRM1RRM2B
SCHEMBL29773626 0.78 NCOA3 (0.70) NCOA3NCOA1RRM2RRM1RRM2B
SCHEMBL29846704 0.76 NCOA3 (0.59) NCOA3PLAUPLGMAPTKDM4E
SCHEMBL11723196 0.76 NCOA3 (0.59) NCOA3PLAUPLGMAPTKDM4E

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-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 — — US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 — — 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-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY HMOX1, HMOX2, PPOX NCOA3 2184/4885NCOA1 1785/4885PLAU 1126/4885

“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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