SCHEMBL2312932

SCHEMBL2312932

N#Cc1ccc2c(c1)C(=O)c1cccc(-c3nc4ccccc4[nH]3)c1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
KDM4E B2RXH2 3/20 0.45
KDR P35968 2/20 0.45
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
GBA1 P04062 1/20 0.45
PDE10A Q9Y233 1/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL2313456 0.88 MAPK10 (0.46) NPC1RAB9AKDM4EKDRPDGFRB
SCHEMBL2317573 0.84 RAB9A (0.43) NPC1RAB9AKDM4EPDE10AMETAP2
SCHEMBL2314062 0.84 NPC1 (0.57) NPC1RAB9AKDM4EKDRPDGFRB
SCHEMBL9725329 0.82 METAP2 (0.53) NPC1RAB9AKDM4EKDRPDGFRB
SCHEMBL2312079 0.82 AMY1A (0.49) NPC1RAB9AKDM4EKDRPDGFRB
SCHEMBL2312127 0.82 NPC1 (0.52) NPC1RAB9AKDM4EKDRPDGFRB
SCHEMBL2313686 0.78 MMP2 (0.55) NPC1RAB9AKDM4EMETAP1SMN1; SMN2
SCHEMBL12071689 0.76 SMN1; SMN2 (0.61) NPC1RAB9AKDM4EMETAP2METAP1
SCHEMBL2308879 0.76 METAP2 (0.43) NPC1RAB9AKDM4EPDE10AMETAP2
SCHEMBL2308883 0.76 METAP2 (0.43) NPC1RAB9AKDM4EPDE10AMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888579-B1 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA SA (FR) 2011-08-03 EP disclosed
US-7674795-B2 Fluorene derivatives, composition containing said derivatives and the use thereof AVENTIS PHARMA SA (FR) 2010-03-09 US disclosed
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-26 US disclosed
EP-1888579-A2 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF Aventis Pharma S.A. (FR) 2008-02-20 EP disclosed
WO-2006123061-A2 FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA S.A. (FR) 2006-11-23 WO 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-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof HSP90B1, HSP90AB1, HSP90AA1 NPC1 245/4885RAB9A 1012/4885KDM4E 3419/4885

“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.