SCHEMBL2588042

SCHEMBL2588042

CCCCNCCCCOc1ccc(-c2c[nH]c3c(OCCC)ccc(F)c3c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 3/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
KMT2A Q03164 1/20 0.35
MET P08581 3/20 0.35
KDR P35968 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MAOB P27338 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL2578823 0.93 MET (0.37) TSHRALDH1A1KDM4EHTR1AHTR1D
SCHEMBL2492033 0.87 MET (0.41) NPC1RAB9AMETKDRMAOB
SCHEMBL2588036 0.87 MET (0.40) ALDH1A1KMT2AMETKDRSMN1; SMN2
SCHEMBL1136343 0.86 FFAR4 (0.40) NPC1RAB9AALDH1A1METKDR
SCHEMBL2580285 0.85 TSHR (0.43) TSHRALDH1A1KDM4EKMT2AMET
SCHEMBL1136119 0.84 MAOB (0.40) NPC1RAB9AALDH1A1KDM4EMET
SCHEMBL2588182 0.84 FFAR4 (0.52) NPC1RAB9AMETKDRFFAR1
SCHEMBL2580309 0.83 TSHR (0.36) TSHRALDH1A1HTR1AHTR1DHTR1B
SCHEMBL2586505 0.82 FFAR1 (0.41) NPC1RAB9AFFAR1FFAR4CYP1A2
SCHEMBL2586698 0.81 FFAR4 (0.42) NPC1RAB9AMETKDRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018229-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-04-28 US disclosed
US-RE45108-E1 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
US-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-02-13 US disclosed
US-8592593-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-11-26 US disclosed
US-20130005675-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 US disclosed
US-8304546-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-06 US disclosed
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 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 (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-20130005675-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 TSHR 2128/4885NPC1 1675/4885RAB9A 320/4885
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 TSHR 2128/4885NPC1 1675/4885RAB9A 320/4885
US-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 TSHR 2128/4885NPC1 1675/4885RAB9A 320/4885

“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.