SCHEMBL2396701

SCHEMBL2396701

COC(=O)c1ccc(C(=O)Nc2cc3c4c(c2)CCCC4CCC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.49
PTPN1 P18031 1/20 0.49
RAB9A P51151 7/20 0.48
NPC1 O15118 7/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
MAPT P10636 1/20 0.47
TP53 P04637 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
PTPN11 Q06124 1/20 0.46

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
SCHEMBL2393106 0.96 ALDH1A1 (0.48) ALDH1A1KDM4EPTPN1RAB9ANPC1
SCHEMBL2396155 0.91 PTPN1 (0.51) ALDH1A1PTPN1RAB9ANPC1ATM
SCHEMBL2393644 0.88 NPC1 (0.50) ALDH1A1PTPN1RAB9ANPC1ATM
SCHEMBL2394759 0.86 MAPK1 (0.49) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL2394947 0.85 RAB9A (0.52) ALDH1A1RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL2392565 0.85 MAPK1 (0.48) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL2394634 0.83 MAPK1 (0.48) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL2394945 0.82 RAB9A (0.51) ALDH1A1RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL2394943 0.81 RAB9A (0.44) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL2394400 0.79 SMN1; SMN2 (0.51) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2

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 6 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-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 ALDH1A1 761/4885KDM4E 3386/4885PTPN1 3436/4885

“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.