SCHEMBL13380954

SCHEMBL13380954

C(=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)\c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 1.00
▸ MEN1 O00255 5/20 1.00
▸ KMT2A Q03164 5/20 1.00
▸ NPSR1 Q6W5P4 2/20 1.00
▸ HTT P42858 2/20 1.00
▸ DDX3X O00571 3/20 0.78
▸ SMN1; SMN2 Q16637 9/20 0.67
▸ ALDH1A1 P00352 6/20 0.67
▸ LMNA P02545 4/20 0.67
▸ CA12 O43570 2/20 0.60
▸ CA1 P00915 2/20 0.60
▸ CA2 P00918 2/20 0.60
▸ CA9 Q16790 2/20 0.60
▸ GAA P10253 5/20 0.56
▸ CYP1A2 P05177 3/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ GFER P55789 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ NPC1 O15118 5/20 0.55
▸ RAB9A P51151 5/20 0.55

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
SCHEMBL13380966 0.88 DDX3X (1.00) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL13380962 0.85 DDX3X (0.93) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL11486327 0.85 ALDH1A1 (0.74) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL11226669 0.85 ALDH1A1 (0.74) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL8908392 0.81 DDX3X (0.85) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL8909166 0.81 DDX3X (0.85) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL19034090 0.79 NOX1 (0.67) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL16268621 0.79 NOX1 (0.67) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL11913707 0.75 DDX3X (0.69) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL23345485 0.75 KMT2A (0.67) MAPTMEN1KMT2ANPSR1HTT

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 MAPT 3791/4885MEN1 4396/4885KMT2A 3310/4885

“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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