SCHEMBL2393099

SCHEMBL2393099

O=C(Nc1cc2c3c(c1)CCCC3CCC2)c1ccc(C(=O)O)nc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 16/20 0.55
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL2396462 0.92 RAB9A (0.46) P4HTMRAB9AKDM4ENPC1ALDH1A1
SCHEMBL2391520 0.88 RAB9A (0.45) P4HTMRAB9AKDM4ENPC1ALDH1A1
SCHEMBL2398637 0.88 P4HTM (0.59) P4HTMRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL2392565 0.88 MAPK1 (0.48) P4HTMRAB9AKDM4ENPC1ALDH1A1
SCHEMBL2394759 0.84 MAPK1 (0.49) P4HTMRAB9AKDM4ENPC1ALDH1A1
SCHEMBL2394947 0.84 RAB9A (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2394634 0.81 MAPK1 (0.48) P4HTMRAB9AKDM4ENPC1ALDH1A1
SCHEMBL2394945 0.80 RAB9A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL11956667 0.80 P4HTM (0.53) P4HTMRAB9AKDM4ENPC1ALDH1A1
SCHEMBL2394763 0.78 MEN1 (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2HTT

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 P4HTM 1693/4885RAB9A 1612/4885KDM4E 3386/4885

“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.