SCHEMBL829800

SCHEMBL829800

O=C(O)c1ccc(Nc2cc3c4c(c2)CCCC4CCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
RAB9A P51151 4/20 0.40
GAA P10253 3/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMO O15229 1/20 0.40
KMT2A Q03164 3/20 0.39
MITF O75030 1/20 0.39
MAPK14 Q16539 3/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39

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
SCHEMBL830021 0.96 KMO (0.42) ALDH1A1CYP1A2RAB9AGAANPC1
SCHEMBL2394947 0.84 RAB9A (0.52) ALDH1A1RAB9AGAANPC1SMN1; SMN2
SCHEMBL2394763 0.83 MEN1 (0.54) ALDH1A1CYP1A2RAB9AGAANPC1
SCHEMBL829840 0.81 RAB9A (0.50) ALDH1A1CYP1A2RAB9AGAANPC1
SCHEMBL2394945 0.81 RAB9A (0.51) ALDH1A1RAB9AGAANPC1SMN1; SMN2
SCHEMBL2395042 0.80 POLB (0.59) ALDH1A1CYP1A2GAASMN1; SMN2TP53
SCHEMBL828937 0.80 ALDH1A1 (0.48) ALDH1A1CYP1A2HTTMAPTKMO
SCHEMBL829696 0.80 AURKA (0.38) ALDH1A1SMN1; SMN2HTTTDP1KMO
SCHEMBL2393053 0.80 MEN1 (0.52) ALDH1A1CYP1A2RAB9AGAANPC1
SCHEMBL31003814 0.78 KMO (0.54) ALDH1A1SMN1; SMN2HTTTDP1KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143260-B2 Tricyclic amine compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-03-27 US disclosed
US-8143260-B2 Tricyclic amine compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-03-27 US disclosed
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-11-24 US disclosed
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-11-24 US disclosed
EP-2189440-A1 TRICYCLIC AMINE COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 EP 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-20110288299-A1 TRICYCLIC AMINE COMPOUND RXRA, RXRB, NR2C2 ALDH1A1 727/4885CYP1A2 159/4885RAB9A 1729/4885

“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.