SCHEMBL13380906

SCHEMBL13380906

C(=N\Nc1ncc(-c2ccccc2)nn1)\c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
KDM4E B2RXH2 1/20 0.56
RAB9A P51151 7/20 0.55
NPC1 O15118 5/20 0.55
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 2/20 0.50
CTH P32929 1/20 0.50
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
DDX3X O00571 1/20 0.48
NOX1 Q9Y5S8 1/20 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
SCHEMBL13380921 0.81 MAPT (0.82) MAPTKDM4ERAB9ANPC1KMT2A
SCHEMBL13381048 0.80 CTH (0.66) MAPTKDM4ERAB9ANPC1KMT2A
SCHEMBL12638783 0.74 RAB9A (0.53) MAPTKDM4ERAB9ANPC1KMT2A
SCHEMBL2020946 0.74 RAB9A (0.71) MAPTKDM4ERAB9ANPC1KMT2A
SCHEMBL2020949 0.74 RAB9A (0.71) MAPTKDM4ERAB9ANPC1KMT2A
SCHEMBL13380912 0.73 MAPT (0.75) MAPTKDM4ERAB9ANPC1KMT2A
SCHEMBL28170025 0.73 RAB9A (0.68) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL28170026 0.73 RAB9A (0.68) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL13381057 0.73 RAB9A (0.59) MAPTKDM4ERAB9ANPC1KMT2A
SCHEMBL29626976 0.73 MAPT (0.60) MAPTRAB9ANPC1KMT2AMEN1

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 3791/4885KDM4E 2274/4885RAB9A 4546/4885

“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.