SCHEMBL2398289

SCHEMBL2398289

COc1cc(NC(=O)c2cc3c4c(c2)CCCC4(C)CCC3)ccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
APLNR P35414 1/20 0.43
ALDH1A1 P00352 2/20 0.42
ALOX5 P09917 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
DHODH Q02127 2/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD11B1 P28845 1/20 0.41
CPT2 P23786 3/20 0.41
CPT1A P50416 3/20 0.41

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
SCHEMBL2394352 0.92 NPC1 (0.45) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2392941 0.86 KMT2A (0.54) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2394385 0.85 CPT2 (0.44) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2398306 0.85 RARA (0.58) NPC1RAB9AMEN1KMT2AAPLNR
SCHEMBL2394957 0.82 MEN1 (0.54) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2396158 0.82 NPC1 (0.46) NPC1RAB9AMEN1KMT2AAPLNR
SCHEMBL2390930 0.82 SMN1; SMN2 (0.50) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL2396333 0.81 MCHR1 (0.46) NPC1RAB9AMEN1KMT2AAPLNR
SCHEMBL2393263 0.81 SMN1; SMN2 (0.43) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2394316 0.81 RARA (0.46) NPC1RAB9AMEN1KMT2AAPLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2189443-B1 TRICYCLIC AMIDE COMPOUND RES FOUND ITSUU LAB (JP) 2013-10-23 EP disclosed
US-8232300-B2 Tricyclic amide compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-07-31 US disclosed
US-8232300-B2 Tricyclic amide compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-07-31 US disclosed
US-8232300-B2 Tricyclic amide compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-07-31 US disclosed
US-20110213157-A1 TRICYCLIC AMIDE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
US-20110213157-A1 TRICYCLIC AMIDE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
US-20110213157-A1 TRICYCLIC AMIDE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 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-20110213157-A1 TRICYCLIC AMIDE COMPOUND RXRA, RXRB, RXRG NPC1 905/4885RAB9A 1612/4885MEN1 3029/4885

“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.