SCHEMBL5525100

SCHEMBL5525100

O=C(O)c1cn(-c2cccc(CN3CCCCC3)c2)c2c(OC(F)(F)F)c(N3CCN(c4cccc(Cl)c4)CC3)c(F)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TOP1 P11387 5/20 0.40
HRH3 Q9Y5N1 1/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
CHRM4 P08173 3/20 0.37
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 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
SCHEMBL5531448 0.94 HPGD (0.43) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL5530825 0.92 KDM4E (0.43) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL5535058 0.90 HSD17B10 (0.42) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL5530539 0.90 KDM4E (0.46) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL5527440 0.89 HPGD (0.46) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL5528829 0.89 KDM4E (0.49) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL5531404 0.88 HPGD (0.42) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL5530504 0.85 MAPT (0.41) HPGDHSD17B10KDM4EALDH1A1CHRM4
SCHEMBL5528911 0.85 TOP1 (0.46) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL5523036 0.83 HPGD (0.41) HPGDHSD17B10KDM4EALDH1A1POLB

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
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

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 HPGD 150/4885HSD17B10 663/4885KDM4E 2571/4885

“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.