SCHEMBL829696

SCHEMBL829696

O=C(O)c1cnc(Nc2cc3c4c(c2)CCCC4CCC3)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.38
HDAC6 Q9UBN7 7/20 0.38
HDAC3 O15379 6/20 0.38
HDAC1 Q13547 6/20 0.38
HDAC2 Q92769 6/20 0.38
KMO O15229 2/20 0.38
GRM5 P41594 1/20 0.36
HCAR3 P49019 3/20 0.36
KDM4C Q9H3R0 1/20 0.35
GFRA3 O60609 1/20 0.34
RET P07949 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL830231 0.96 AURKA (0.40) AURKAHDAC6HDAC3HDAC1HDAC2
SCHEMBL829249 0.82 RAB9A (0.41) HDAC6HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL829800 0.80 ALDH1A1 (0.41) KMOALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL829027 0.79 RAB9A (0.41) HDAC6HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL2396462 0.78 RAB9A (0.46) HCAR3ALDH1A1HTTKDM4EGLA
SCHEMBL830054 0.77 HDAC6 (0.39) HDAC6HDAC3HDAC1HDAC2HCAR3
SCHEMBL828937 0.76 ALDH1A1 (0.48) KMOALDH1A1HTTKDM4EKMT2A
SCHEMBL830021 0.76 KMO (0.42) KMOALDH1A1HTTKDM4EKMT2A
SCHEMBL830028 0.74 KDM4E (0.44) HDAC6HDAC3HDAC1HDAC2KMO
SCHEMBL2393099 0.74 P4HTM (0.55) ALDH1A1HTTKDM4EGLAKMT2A

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 2353/4885HDAC6 636/4885HDAC3 66/4885

“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.