SCHEMBL4958013

SCHEMBL4958013

C=CCOc1ccncc1OCOC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
KDM4E B2RXH2 6/20 0.37
TGFBR1 P36897 1/20 0.36
TGFBR2 P37173 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
GCGR P47871 1/20 0.34
MAPK14 Q16539 1/20 0.34
SLC22A1 O15245 1/20 0.33

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
SCHEMBL3823546 0.88 POLB (0.43) POLBKDM4ETGFBR1TGFBR2ALDH1A1
SCHEMBL14159678 0.80 CA12 (0.49) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL15858729 0.80 CHRNB4 (0.50) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL28267778 0.76 KDM1A (0.39) MAPTCHRNB4CHRNA3CYP1A2
SCHEMBL4960166 0.76 ABCB1 (0.44) POLBALDH1A1MAPK14LMNAHTR1A
SCHEMBL6641455 0.74 LMNA (0.47) POLBKDM4EALDH1A1L3MBTL1MAPT
SCHEMBL4956799 0.73 ADRA2A (0.40) POLBTGFBR1TGFBR2HPGDGAA
SCHEMBL13345451 0.73 IMPDH2 (0.41) POLBTGFBR1TGFBR2HPGDGAA
SCHEMBL28229161 0.73 IMPDH2 (0.41) POLBTGFBR1TGFBR2HPGDGAA
SCHEMBL8811300 0.73 POLB (0.38) POLBKDM4ETGFBR1TGFBR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423048-B2 Compounds for treating fundic disaccomodation JANSSEN PHARMACEUTICA, N.V. (BE) 2008-09-09 US disclosed
US-20070066608-A1 Novel indole derivatives with an improved antipsychotic activity JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 US disclosed
US-20070066608-A1 Novel indole derivatives with an improved antipsychotic activity JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 US disclosed
US-7081453-B2 Compounds for treating impaired fundic relaxation JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-25 US disclosed
US-20060142318-A1 Compounds for treating fundic disaccomodation VAN EMELEN KRISTOF 2006-06-29 US disclosed
EP-1296987-B1 COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION JANSSEN PHARMACEUTICA NV (BE) 2005-12-07 EP disclosed
US-20040019051-A1 Compounds for treating impaired fundic relaxation JANSSEN-CILAG S.A. (ES) 2004-01-29 US disclosed
EP-1296987-A1 COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION JANSSEN PHARMACEUTICA N.V. (BE) 2003-04-02 EP disclosed
WO-2001098306-A1 COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION JANSSEN PHARMACEUTICA N.V. (BE) 2001-12-27 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 (3 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-20040019051-A1 Compounds for treating impaired fundic relaxation CNR2, CNR1, CBR1 POLB 4131/4885KDM4E 1856/4885TGFBR1 650/4885
US-20070066608-A1 Novel indole derivatives with an improved antipsychotic activity HTR1A, TPH1, HTR1D POLB 4064/4885KDM4E 2838/4885TGFBR1 2101/4885
US-20060142318-A1 Compounds for treating fundic disaccomodation ALK, ADORA1, CHRM2 POLB 4656/4885KDM4E 2919/4885TGFBR1 78/4885

“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.