SCHEMBL830231

SCHEMBL830231

O=C(O)c1cnc(Nc2cc3c4c(c2)CCCCC4CCCC3)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.40
KMO O15229 2/20 0.40
HCAR3 P49019 3/20 0.38
HDAC6 Q9UBN7 7/20 0.37
HDAC3 O15379 6/20 0.37
HDAC1 Q13547 6/20 0.37
HDAC2 Q92769 6/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GRM5 P41594 1/20 0.35
CDK1 P06493 1/20 0.35

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
SCHEMBL829696 0.96 AURKA (0.38) AURKAKMOHCAR3HDAC6HDAC3
SCHEMBL829027 0.83 RAB9A (0.41) HDAC6HDAC3HDAC1HDAC2KMT2A
SCHEMBL830021 0.80 KMO (0.42) KMOKMT2AKDM4EHTTSMN1; SMN2
SCHEMBL829249 0.79 RAB9A (0.41) HDAC6HDAC3HDAC1HDAC2KMT2A
SCHEMBL2391520 0.78 RAB9A (0.45) HCAR3KMT2AKDM4EGLAHTT
SCHEMBL830332 0.77 KMO (0.49) KMOHDAC6HDAC1KMT2AKDM4E
SCHEMBL830054 0.76 HDAC6 (0.39) HCAR3HDAC6HDAC3HDAC1HDAC2
SCHEMBL829800 0.76 ALDH1A1 (0.41) KMOKMT2AHTTSMN1; SMN2TDP1
SCHEMBL831240 0.75 KDM4E (0.43) KMOHCAR3HDAC6HDAC3HDAC1
SCHEMBL2396462 0.74 RAB9A (0.46) HCAR3KMT2AKDM4EGLAHTT

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 AURKA 2353/4885KMO 2573/4885HCAR3 81/4885

“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.