SCHEMBL5525433

SCHEMBL5525433

O=c1ccn(-c2ccc(CN3CCCC3)c(F)c2)c2c(Cl)c(N3CCN(c4ccc(F)cc4)CC3)c(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 5/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
MAPK14 Q16539 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SMO Q99835 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
SCHEMBL5525288 0.94 KMT2A (0.45) SMN1; SMN2KDM4EALDH1A1KMT2AMAPT
SCHEMBL5530846 0.90 DRD2 (0.39) SMN1; SMN2KDM4EKMT2ADRD2DRD4
SCHEMBL5528273 0.85 MAPT (0.39) SMN1; SMN2KDM4EALDH1A1CYP3A4KMT2A
SCHEMBL5529068 0.85 TP53 (0.37) SMN1; SMN2KDM4EKMT2ADRD2DRD4
SCHEMBL5530513 0.84 MAPT (0.43) SMN1; SMN2KDM4EALDH1A1CYP3A4MAPT
SCHEMBL5525377 0.84 KDM4E (0.50) KDM4EALDH1A1CYP3A4KMT2APOLB
SCHEMBL5530837 0.81 MTOR (0.39) ALDH1A1MAPTDRD2DRD4
SCHEMBL5525437 0.79 DRD4 (0.37) KMT2AMAPTPOLBDRD2DRD4
SCHEMBL5520783 0.78 KDM4E (0.50) KDM4EALDH1A1CYP3A4KMT2APOLB
SCHEMBL5522872 0.78 MAPT (0.43) KDM4EALDH1A1KMT2AMAPTHTT

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 1 patent. 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

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 SMN1; SMN2 4011/4885KDM4E 2571/4885ALDH1A1 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.