SCHEMBL4084272

SCHEMBL4084272

Nc1cccc(-c2nc(-c3ccccc3)c[nH]2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 5/20 0.60
HPGD P15428 5/20 0.60
MAPT P10636 5/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
LMNA P02545 2/20 0.60
GLA P06280 1/20 0.55
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAOA P21397 1/20 0.50
ATAD2 Q6PL18 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PRMT1 Q99873 1/20 0.49
NTRK1 P04629 1/20 0.47
METAP2 P50579 1/20 0.46
ENPP2 Q13822 1/20 0.46
TSHR P16473 1/20 0.44

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
SCHEMBL8108992 0.95 KDM4E (0.57) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL17279786 0.88 MEN1 (0.46) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL17280181 0.84 MEN1 (0.43) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL7135278 0.83 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL26463821 0.83 KDM4E (0.44) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL17279780 0.82 MEN1 (0.43) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL528246 0.82 MEN1 (0.46) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL8110936 0.81 IDO1 (0.47) KDM4EHPGDMAPTMEN1KMT2A
SCHEMBL26465207 0.81 ABL1 (0.51) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL31305506 0.80 CXCR2 (0.49) ALDH1A1KDM4EHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2009-12-17 US claimed
CN-101501004-A Compounds and compositions as HEDGEHOG pathway modulators IRM LLC (VG) 2009-08-05 CN claimed
EP-2044065-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM, LLC (BM) 2009-04-08 EP claimed
WO-2008014291-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2008-01-31 WO claimed
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2009-12-17 US disclosed
CN-101501004-A Compounds and compositions as HEDGEHOG pathway modulators IRM LLC (VG) 2009-08-05 CN disclosed
EP-2044065-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM, LLC (BM) 2009-04-08 EP disclosed
WO-2008014291-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2008-01-31 WO disclosed
EP-1307431-A2 EFFICIENT LIGAND-MEDIATED ULLMANN COUPLING OF ANILINES AND AZOLES Bristol-Myers Squibb Pharma Company (US) 2003-05-07 EP disclosed
WO-2002008199-A2 EFFICIENT LIGAND-MEDIATED ULLMANN COUPLING OF ANILINES AND AZOLES BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-31 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-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS GLI1, SHH, SMO ALDH1A1 1979/4885KDM4E 1119/4885HPGD 3412/4885

“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.