SCHEMBL5533719

SCHEMBL5533719

O=C(O)/C(=C\Nc1ccc(CN2CCCC2)cc1)C(=O)c1cc(F)c(F)c(OC(F)(F)Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.37
LMNA P02545 2/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TNIK Q9UKE5 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL5533725 1.00 HRH3 (0.37) HRH3LMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL14417314 0.90 NPSR1 (0.43) LMNAKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL5519865 0.84 NPSR1 (0.44) LMNAKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL5525096 0.84 ACKR3 (0.40) SMN1; SMN2KDM4EALDH1A1GAACYP2C9
SCHEMBL14417315 0.84 NPSR1 (0.44) LMNAKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL5525549 0.74 DHODH (0.40) KDM4EMAPTPOLB
SCHEMBL5519869 0.74 KDM4E (0.41) HRH3LMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL5709770 0.72 CES2 (0.31)
SCHEMBL5709771 0.72 CES2 (0.31)
SCHEMBL5525554 0.67 ACKR3 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 US disclosed
EP-1732897-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS Bayer Pharmaceuticals Corporation (US) 2006-12-20 EP disclosed
WO-2005097752-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-20 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 (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-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions TP53, RB1, HRAS HRH3 494/4885LMNA 1366/4885KMT2A 2389/4885

“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.