SCHEMBL6183264

SCHEMBL6183264

N[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@H]2F)CC12CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 5/20 0.50
LMNA P02545 4/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 3/20 0.49
CYP1A2 P05177 1/20 0.49
TOP2A P11388 1/20 0.49
CYP2C9 P11712 1/20 0.49
TOP2B Q02880 1/20 0.49
MAPT P10636 1/20 0.47
TOP1 P11387 1/20 0.44
PIK3CG P48736 5/20 0.42
PIK3CD O00329 4/20 0.42
PIK3R1 P27986 4/20 0.42
PIK3CA P42336 4/20 0.42
DRD3 P35462 1/20 0.41
HTT P42858 2/20 0.41
BRD4 O60885 1/20 0.41
TSHR P16473 1/20 0.41
CYP2J2 P51589 1/20 0.41

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
SCHEMBL6183266 1.00 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL8775506 0.89 KDM4E (0.64) ALDH1A1KDM4ELMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL9023258 0.88 KDM4E (0.63) ALDH1A1KDM4ELMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL9023266 0.88 KDM4E (0.63) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9080124 0.83 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL7997785 0.83 KCNH2 (0.51) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL7997787 0.83 KCNH2 (0.51) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL13483613 0.83 TOP1 (0.61) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9080218 0.82 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9080155 0.82 DRD3 (0.63) ALDH1A1KDM4ELMNAHPGDHSD17B10

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-20050143407-A1 Process for porducing quinolonecarboxylic acid derivative DAIICHI PHARMACEUTICAL CO., LTD (JP) 2005-06-30 US disclosed
EP-1518856-A1 PROCESS FOR PRODUCING QUINOLONECARBOXYLIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-03-30 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-20050143407-A1 Process for porducing quinolonecarboxylic acid derivative PORCN, POR, COASY ALDH1A1 2180/4885KDM4E 3193/4885LMNA 1492/4885

“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.