SCHEMBL2393644

SCHEMBL2393644

COC(=O)c1ccc(NC(=O)c2cc3c4c(c2)CCCCC4CCCC3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 2/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
PTPN1 P18031 1/20 0.50
EPHX2 P34913 1/20 0.50
CYP2C19 P33261 2/20 0.49
ATM Q13315 1/20 0.49
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HDAC3 O15379 1/20 0.48

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
SCHEMBL2396155 0.96 PTPN1 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL2393106 0.91 ALDH1A1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL2396701 0.88 ALDH1A1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL2393053 0.86 MEN1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL2390929 0.85 SMN1; SMN2 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL2395673 0.84 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL2395776 0.84 MCHR1 (0.46) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL2398309 0.84 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2392793 0.83 DEGS1 (0.50) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL2394763 0.82 MEN1 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2MEN1

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
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
EP-2189443-A1 TRICYCLIC AMIDE 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-20110213157-A1 TRICYCLIC AMIDE COMPOUND RXRA, RXRB, RXRG NPC1 905/4885RAB9A 1612/4885ALDH1A1 761/4885

“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.