Sugi Predict

Sugi Predict / Compounds / SCHEMBL831240

SCHEMBL831240

SCHEMBL831240

CN(c1cc2c3c(c1)CCCCC3CCCC2)c1ncc(C(=O)O)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KDM4C Q9H3R0 2/20 0.38
▸ KDM6B O15054 1/20 0.38
▸ RXRA P19793 5/20 0.37
▸ RXRB P28702 4/20 0.37
▸ RXRG P48443 4/20 0.37
▸ HCAR3 P49019 3/20 0.36
▸ EGLN1 Q9GZT9 3/20 0.35
▸ KMO O15229 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HDAC3 O15379 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
SCHEMBL830028 0.96 KDM4E (0.44) KDM4EALDH1A1ALOX15HSD17B10KDM4C
SCHEMBL829288 0.85 RXRA (0.48) KDM4EALDH1A1ALOX15HSD17B10KDM4C
SCHEMBL829380 0.81 RXRA (0.52) KDM4EALDH1A1ALOX15HSD17B10KDM4C
SCHEMBL830053 0.81 RXRA (0.50) KDM4EALDH1A1KDM4CKDM6BRXRA
SCHEMBL829812 0.81 RXRA (0.49) KDM4EALDH1A1ALOX15HSD17B10KDM4C
SCHEMBL830043 0.78 ALDH1A1 (0.43) KDM4EALDH1A1ALOX15HSD17B10KDM4C
SCHEMBL829808 0.78 RXRA (0.53) KDM4EALDH1A1ALOX15HSD17B10KDM4C
SCHEMBL830317 0.77 RXRA (0.48) KDM4EALDH1A1KDM4CKDM6BRXRA
SCHEMBL830332 0.75 KMO (0.49) KDM4EALDH1A1HSD17B10EGLN1KMO
SCHEMBL830231 0.75 AURKA (0.40) KDM4EALDH1A1HCAR3EGLN1KMO

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 8 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-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
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
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 KDM4E 2435/4885ALDH1A1 727/4885ALOX15 2920/4885

“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.