SCHEMBL501005

SCHEMBL501005

O=C(O)c1cc2ccc(N3CCC(CNC4CC4)C3)cc2[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.38
SMYD3 Q9H7B4 2/20 0.37
TOP1 P11387 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MCL1 Q07820 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 1/20 0.36
MGLL Q99685 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
ALOX15 P16050 2/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL2082255 0.86 TOP1 (0.47) SLC16A3SMYD3TOP1ALDH1A1KDM4E
SCHEMBL13581829 0.82 SMYD3 (0.36) SLC16A3SMYD3ALDH1A1KDM4EPDE3B
SCHEMBL9288768 0.82 SLC16A3 (0.41) SLC16A3SMYD3TOP1ALDH1A1KDM4E
SCHEMBL6621623 0.77 SMYD3 (0.42) SLC16A3SMYD3ALDH1A1KDM4EMGLL
SCHEMBL2082993 0.76 KDM4E (0.37) SLC16A3SMYD3ALDH1A1KDM4EPDE3B
SCHEMBL2082281 0.76 SMYD3 (0.43) SLC16A3SMYD3ALDH1A1KDM4EMGLL
SCHEMBL29980141 0.76 SLC16A3 (0.48) SLC16A3ALDH1A1MAPTKDM4EHPGD
SCHEMBL9735507 0.76 IP6K1 (0.51) SLC16A3ALDH1A1MAPTKDM4EHPGD
SCHEMBL31422930 0.75 IP6K1 (0.50) SLC16A3ALDH1A1MAPTKDM4EHPGD
SCHEMBL2082948 0.75 SMYD3 (0.38) SLC16A3SMYD3ALDH1A1KDM4EMGLL

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-1666477-B1 7-(4-SUBSTITUTED 3- CYCLOPROPYLAMINOMETHYL-1- PYRROLIDINYL) Q UINOLONECARBOXYLIC ACID DERIVATIVE KYORIN SEIYAKU KK (JP) 2013-07-03 EP disclosed
US-8106072-B2 7- (4-substituted-3-cyclopropylaminomethyl-1-pyrrolidinyl) quinolonecarboxylic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-01-31 US disclosed
US-20090176824-A1 7- (4-substituted-3-cyclopropylaminomethyl-1-pyrrolidinyl) quinolonecarboxylic acid derivative technical field ASAHINA YOSHIKAZU 2009-07-09 US disclosed
US-7514451-B2 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-04-07 US disclosed
US-20060281779-A1 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-12-14 US disclosed
EP-1666477-A1 7-(4-SUBSTITUTED 3- CYCLOPROPYLAMINOMETHYL-1- PYRROLIDINYL) Q UINOLONECARBOXYLIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2006-06-07 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-20090176824-A1 7- (4-substituted-3-cyclopropylaminomethyl-1-pyrrolidinyl) quinolonecarboxylic acid derivative technical field CLPP, PRSS1, FOSB SLC16A3 4020/4885SMYD3 4838/4885TOP1 53/4885
US-20060281779-A1 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative RPS27L, RPS7, RPSA SLC16A3 3906/4885SMYD3 4831/4885TOP1 84/4885

“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.