SCHEMBL5528121

SCHEMBL5528121

CON(C)Cc1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 6/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 4/20 0.42
TSHR P16473 3/20 0.42
GFER P55789 2/20 0.42
CYP19A1 P11511 4/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MAPK1 P28482 3/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
AOC3 Q16853 1/20 0.35
PSMD14 O00487 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL28827691 0.80 MAPT (0.47) MAPTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL8254364 0.80 HRH3 (0.39) TDP1ALDH1A1TSHRMAPK1TP53
SCHEMBL112375 0.77 TSHR (0.58) MAPTALDH1A1CYP3A4TSHRMAPK1
SCHEMBL57323 0.77 HRH3 (0.64) MAPTTDP1ALDH1A1CYP3A4TSHR
Hydrochloric Acid SCHEMBL31556140 0.76 TSHR (0.56) MAPTALDH1A1CYP3A4TSHRMAOA
SCHEMBL3398470 0.75 TAAR1 (0.64) ALDH1A1TSHRCYP19A1HRH3AOC3
SCHEMBL11831735 0.75 AOC3 (0.62) MAPTTDP1ALDH1A1CYP3A4TSHR
Hydrochloric Acid SCHEMBL1322204 0.75 HRH3 (0.61) MAPTTDP1ALDH1A1CYP3A4TSHR
Hydrochloric Acid SCHEMBL56245 0.75 HRH3 (0.61) MAPTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL6272063 0.74 PRKCI (0.42) MAPTTDP1ALDH1A1CYP3A4TSHR

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 5 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
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 MAPT 4397/4885TDP1 1219/4885ALDH1A1 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.