SCHEMBL3661218

SCHEMBL3661218

CCNc1ccccc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
SIGMAR1 Q99720 4/20 0.39
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 2/20 0.38
CASP1 P29466 1/20 0.38
BRCA1 P38398 1/20 0.38
CASP7 P55210 1/20 0.38
POLB P06746 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36

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
SCHEMBL27481536 0.83 IDO1 (0.43) IDO1SIGMAR1MAPTHTTMEN1
SCHEMBL2170909 0.82 IDO1 (0.47) IDO1SIGMAR1MAPTHTTGRIN2D
SCHEMBL526384 0.82 IDO1 (0.52) IDO1MAPTHTTMEN1KMT2A
SCHEMBL21812021 0.80 KMT2A (0.42) IDO1SIGMAR1MAPTHTTMEN1
Iodide SCHEMBL27185482 0.79 IDO1 (0.50) IDO1MAPTHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL5804938 0.79 IDO1 (0.50) IDO1MAPTHTTMEN1KMT2A
SCHEMBL27602957 0.79 TLR8 (0.46) MAPTHTTPOLBRAB9ASMN1; SMN2
SCHEMBL18576413 0.76 IDO1 (0.44) IDO1MAPTHTTMEN1KMT2A
SCHEMBL1168220 0.75 IDO1 (0.52) IDO1MAPTHTTMEN1KMT2A
SCHEMBL16432444 0.74 MAPT (0.38) IDO1SIGMAR1MAPTHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065698-A1 NOVEL PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2011-03-17 US disclosed
US-20100298302-A1 NOVEL PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2010-11-25 US disclosed
WO-2010131274-A1 PROCESS FOR PREPARING HYDROCINNAMIC ALDEHYDES IN ENANTIOPURE OR ENANTIOMERICALLY ENRICHED FORM ENDURA S.P.A (IT) 2010-11-18 WO disclosed
EP-2139468-A1 HEXAHYDRO-CYCLOOCTYL PYRAZOLE CANNABINOID MODULATORS Janssen Pharmaceutica, N.V. (BE) 2010-01-06 EP disclosed
WO-2009023292-A1 HEXAHYDRO-CYCLOOCTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-19 WO disclosed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
EP-1966210-A2 SULPHONAMIDOANILINE DERIVATIVES BEING JANUS KINASES INHIBITORS Novartis AG (CH) 2008-09-10 EP disclosed
WO-2008098859-A1 HCV POLYMERASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-21 WO disclosed
EP-1888524-A1 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2008-02-20 EP disclosed
EP-1866034-A1 SUBSTITUTED 1,2-ETHYLENDIAMINES, MEDICAMENTS COMPRISING SAID COMPOUND; THEIR USE AND THEIR METHOD OF MANUFACTURE Boehringer Ingelheim International GmbH (DE) 2007-12-19 EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2007071393-A2 SULPHONAMIDOANILINE DERIVATIVES BEING JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO disclosed
WO-2006117677-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2006-11-09 WO disclosed
WO-2006103038-A1 SUBSTITUTED 1,2-ETHYLENDIAMINES, MEDICAMENTS COMPRISING SAID COMPOUND; THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 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 (2 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-20110065698-A1 NOVEL PROTEIN KINASE MODULATORS PIM2, PIM1, PIM3 IDO1 1596/4885SIGMAR1 3915/4885MAPT 3965/4885
US-20100298302-A1 NOVEL PROTEIN KINASE MODULATORS PIM2, PIM1, PIM3 IDO1 1892/4885SIGMAR1 3313/4885MAPT 2534/4885

“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.