SCHEMBL7552509

SCHEMBL7552509

C=CCN(/C=C(/C(=O)O)C(=O)c1cccc(C)c1)CC=C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 1/20 0.41
PARP1 P09874 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38
POLB P06746 3/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 0.36
KCNK3 O14649 2/20 0.36
KMT2A Q03164 2/20 0.36
KCNK9 Q9NPC2 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KCNH2 Q12809 1/20 0.35
ENPP3 O14638 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
SCHEMBL7552512 1.00 TDP1 (0.41) TDP1HPGDPARP1ALDH1A1MAPT
SCHEMBL9562364 0.84 CES2 (0.41) HPGDALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL9562359 0.84 CES2 (0.41) HPGDALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL11872290 0.73 HPGD (0.66) TDP1HPGDPARP1ALDH1A1MAPT
SCHEMBL2060236 0.71 PARP1 (0.61) TDP1HPGDPARP1ALDH1A1MAPT
SCHEMBL29922789 0.71 PARP1 (0.61) TDP1HPGDPARP1ALDH1A1MAPT
SCHEMBL10784885 0.71 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL12879204 0.70 HPGD (0.74) TDP1HPGDPARP1ALDH1A1SMN1; SMN2
SCHEMBL3753879 0.69 PARP1 (0.68) TDP1HPGDPARP1SMN1; SMN2HDAC8
SCHEMBL7668976 0.68 PARP1 (0.45) TDP1HPGDPARP1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020193591-A1 Process for producing 5-amino-8-alkylquinolonecarboxylic acid derivative and intermediates in the production thereof DAIICHI PHARMACEUTICAL CO., LTD. 2002-12-19 US disclosed
EP-1167344-A1 PROCESS FOR PRODUCING 5-AMINO-8- ALKYLQUINOLO NECARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES IN THE PRODUCTION THEREOF DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-01-02 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 (1 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-20020193591-A1 Process for producing 5-amino-8-alkylquinolonecarboxylic acid derivative and intermediates in the production thereof SQOR, XDH, SPOUT1 TDP1 4216/4885HPGD 404/4885PARP1 1184/4885

“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.