SCHEMBL5530747

SCHEMBL5530747

O=C(O)c1cn(-c2ccc(CNC3CCCCC3)cc2)c2c(Cl)c(N3CCN(c4ccccn4)CC3)c(F)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 6/20 0.41
POLB P06746 3/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TOP1 P11387 3/20 0.39
KDM4E B2RXH2 4/20 0.38
HSP90AA1 P07900 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TOP2A P11388 5/20 0.38
TOP2B Q02880 5/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PIM1 P11309 1/20 0.37

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
SCHEMBL5527426 0.99 CYP3A4 (0.42) CYP3A4CYP2C9ALDH1A1POLBCHRM2
SCHEMBL5526715 0.98 CYP3A4 (0.42) CYP3A4CYP2C9ALDH1A1POLBCHRM2
SCHEMBL5522817 0.96 CYP3A4 (0.42) CYP3A4CYP2C9ALDH1A1POLBCHRM2
SCHEMBL5535111 0.93 CYP3A4 (0.43) CYP3A4CYP2C9ALDH1A1POLBCHRM2
SCHEMBL5523965 0.92 CYP3A4 (0.43) CYP3A4CYP2C9ALDH1A1POLBCHRM2
SCHEMBL5528281 0.91 CYP3A4 (0.43) CYP3A4CYP2C9ALDH1A1POLBCHRM2
SCHEMBL5525609 0.90 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10TOP1KDM4E
SCHEMBL14417371 0.90 CYP3A4 (0.40) CYP3A4CYP2C9ALDH1A1POLBCHRM2
SCHEMBL5525185 0.90 CYP3A4 (0.40) CYP3A4CYP2C9ALDH1A1POLBCHRM2
SCHEMBL5531441 0.90 CYP3A4 (0.40) CYP3A4CYP2C9ALDH1A1POLBCHRM2

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
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 US claimed
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 US disclosed
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 US disclosed
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 CYP3A4 1946/4885CYP2C9 1954/4885ALDH1A1 272/4885

“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.