SCHEMBL4890891

SCHEMBL4890891

O=C(O)Cc1ccc(C(c2ccc(CC(=O)O)cc2)c2ccccn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.61
SLC6A2 P23975 2/20 0.61
SLC6A4 P31645 1/20 0.61
KDM4E B2RXH2 4/20 0.55
LMNA P02545 3/20 0.55
TSHR P16473 3/20 0.55
CYP3A4 P08684 2/20 0.55
ABCB11 O95342 1/20 0.55
ESR1 P03372 1/20 0.55
ADRA2A P08913 1/20 0.55
CYP2C9 P11712 1/20 0.55
PDE4A P27815 1/20 0.55
ADRA1A P35348 1/20 0.55
OPRK1 P41145 1/20 0.55
STAT6 P42226 1/20 0.55
HIF1A Q16665 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
AKR1B1 P15121 1/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.48
ABCC4 O15439 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
SCHEMBL3290275 0.77 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4KDM4ELMNA
Dihydroxydiphenyl-Pyridyl Methane SCHEMBL2021125 0.76 KDM4E (0.64) SLC6A3SLC6A2SLC6A4KDM4ELMNA
SCHEMBL30638834 0.76 SLC6A3 (0.68) SLC6A3SLC6A2SLC6A4KDM4ELMNA
SCHEMBL24325674 0.76 SLC6A3 (0.55) SLC6A3SLC6A2SLC6A4KDM4ELMNA
Bromide SCHEMBL30297437 0.75 SLC6A3 (0.95) SLC6A3SLC6A2SLC6A4KDM4ELMNA
SCHEMBL14164965 0.75 SLC6A3 (0.78) SLC6A3SLC6A2SLC6A4KDM4ELMNA
SCHEMBL6227744 0.75 GABRP (0.43) SLC6A3SLC6A2SLC6A4KDM4ELMNA
SCHEMBL24325404 0.75 SLC6A3 (0.58) SLC6A3SLC6A2SLC6A4KDM4ELMNA
Dihydroxydiphenyl-Pyridyl Methane SCHEMBL3615825 0.74 SLC6A3 (0.70) SLC6A3SLC6A2SLC6A4KDM4ELMNA
Dihydroxydiphenyl-Pyridyl Methane SCHEMBL29356385 0.74 SLC6A3 (0.70) SLC6A3SLC6A2SLC6A4KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140186872-A1 BISACODYL AND ITS ANALOGUES AS DRUGS FOR USE IN THE TREATMENT OF CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE- CNRS (FR) 2014-07-03 US disclosed
EP-2717875-A2 BISACODYL AND ANALOGUES AS DRUGS FOR TREATING CANCER Université de Strasbourg (FR) 2014-04-16 EP disclosed
WO-2012168885-A2 BISACODYL AND ANALOGUES AS DRUGS FOR TREATING CANCER UNIVERSITÉ DE STRASBOURG (FR) 2012-12-13 WO disclosed
US-20080220087-A1 COLON CLEANSING COMPOSITION AND METHOD LONG NECK MEDICAL ENTERPRISES LLC 2008-09-11 US disclosed
US-7335664-B2 Colon cleansing composition and method LONG NECK MEDICAL ENTERPRISES LLC 2008-02-26 US disclosed
US-7049319-B2 Colon cleansing composition and method LONG NECK MEDICAL ENTERPRISES LLC 2006-05-23 US disclosed
US-20060073214-A1 Colon cleansing composition and method LONG NECK MEDICAL ENTERPRISES LLC 2006-04-06 US disclosed
US-20050064043-A1 Colon cleansing composition and method LONG NECK MEDICAL ENTERPRISES LLC 2005-03-24 US 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-20140186872-A1 BISACODYL AND ITS ANALOGUES AS DRUGS FOR USE IN THE TREATMENT OF CANCER CCND1, DEGS1, MCL1 SLC6A3 1219/4885SLC6A2 1216/4885SLC6A4 2036/4885

“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.