SCHEMBL2428940

SCHEMBL2428940

O=c1c(-c2ccc(Cl)cc2Cl)c[nH]c2c(OCC3CC3)ccc(O)c12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.37
PTGER1 P34995 3/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
SLC6A4 P31645 1/20 0.36
HTR6 P50406 1/20 0.36
KMO O15229 2/20 0.35
HPGD P15428 2/20 0.35
CHRM3 P20309 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
SCHEMBL2433628 0.88 PDE4B (0.38) CNR1HTR2CHTR2BSLC6A4HTR6
SCHEMBL2431071 0.82 EGFR (0.34) SLC6A4HTR6KMOHPGD
SCHEMBL12326428 0.77 CNR2 (0.30)
SCHEMBL1136173 0.74 ALDH1A1 (0.43) HPGD
SCHEMBL16938498 0.73 CNR1 (0.37) CNR1PTGER1CHRM3
SCHEMBL15198840 0.73 TSHR (0.39) SLC6A4HTR6HPGD
SCHEMBL1136053 0.72 ALDH1A1 (0.42) HTR2CHTR2BHPGD
SCHEMBL2434676 0.72 MAPT (0.37) HPGD
SCHEMBL2431843 0.70 PDE4B (0.38)
SCHEMBL2437380 0.67 FFAR1 (0.39)

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
EP-2364706-B1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-07-29 EP disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
EP-2364706-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP 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-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 CNR1 404/4885PTGER1 1696/4885HTR2C 271/4885
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 CNR1 404/4885PTGER1 1696/4885HTR2C 271/4885

“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.