SCHEMBL2376058

SCHEMBL2376058

Cc1cc(Cl)c(OCCCO)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
TDP1 Q9NUW8 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
PLAU P00749 1/20 0.40

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
SCHEMBL14380211 0.94 MAPT (0.53) MAPTHPGDL3MBTL1MAPK1KDM4E
SCHEMBL660641 0.90 MAPT (0.51) MAPTHPGDL3MBTL1MAPK1KDM4E
SCHEMBL2476789 0.83 MAPT (0.46) MAPTHPGDL3MBTL1MAPK1KDM4E
SCHEMBL12243847 0.82 MAPT (0.56) MAPTHPGDL3MBTL1MAPK1KDM4E
SCHEMBL4054790 0.82 HPGD (0.41) MAPTHPGDL3MBTL1MAPK1KDM4E
SCHEMBL10359370 0.81 KDM4E (0.59) MAPTHPGDL3MBTL1MAPK1KDM4E
SCHEMBL11705523 0.80 PLAU (0.43) MAPTHPGDL3MBTL1MAPK1ALDH1A1
SCHEMBL13313280 0.80 KMT2A (0.59) MAPTHPGDL3MBTL1MAPK1KDM4E
SCHEMBL27574370 0.80 KDM4E (0.50) MAPTL3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL3002181 0.79 SMN1; SMN2 (0.37) MAPTHPGDL3MBTL1MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376473-A1 3,4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Merck Canada Inc. (CA) 2011-10-19 EP disclosed
US-20110237622-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-09-29 US disclosed
US-20100280024-A1 RENIN INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2010-11-04 US disclosed
EP-2205559-A1 RENIN INHIBITORS Cadila Healthcare Limited (IN) 2010-07-14 EP disclosed
WO-2010066028-A1 3,4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-06-17 WO disclosed
WO-2009087649-A1 RENIN INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2009-07-16 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-20110237622-A1 RENIN INHIBITORS REN, ACE, ACE2 MAPT 4520/4885HPGD 115/4885L3MBTL1 4872/4885
US-20100280024-A1 RENIN INHIBITORS REN, ACE, AGTR1 MAPT 45/4885HPGD 599/4885L3MBTL1 4883/4885

“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.