SCHEMBL2430455

SCHEMBL2430455

CCn1cc(-c2ccc(OC)cc2)c(=O)c2ccc(O)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 4/20 0.53
TP53 P04637 3/20 0.53
CYP3A4 P08684 3/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
BCL2 P10415 1/20 0.53
CYP2D6 P10635 1/20 0.53
IL2 P60568 1/20 0.53
CYP1B1 Q16678 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
NOD2 Q9HC29 1/20 0.51

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
SCHEMBL2433501 0.90 ALDH1A1 (0.50) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL2430188 0.83 KDM4E (0.46) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL2434376 0.83 GFER (0.51) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL7531263 0.78 PTGS2 (0.45) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL7262276 0.77 PDE4B (0.51) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL7537499 0.76 CASP3 (0.50) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL7261269 0.76 TSPO (0.50) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL7257618 0.76 DYRK1A (0.41) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL1924231 0.75 PTGDR2 (0.44) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL7256688 0.75 TNF (0.44) MEN1KMT2AALDH1A1MAPTKDM4E

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
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
EP-2364706-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
WO-2010064701-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND 大塚製薬株式会社 (JP) 2010-06-10 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-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 MEN1 3932/4885KMT2A 1980/4885ALDH1A1 568/4885
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 MEN1 3932/4885KMT2A 1980/4885ALDH1A1 568/4885

“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.