SCHEMBL5522872

SCHEMBL5522872

O=c1ccn(-c2ccc(CN3CCCC3)cc2F)c2c(Cl)c(N3CCN(c4ccc(Cl)cc4)CC3)c(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
DRD4 P21917 9/20 0.43
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
DRD2 P14416 6/20 0.39
DRD3 P35462 6/20 0.39
HTR1A P08908 3/20 0.39
HTR2A P28223 3/20 0.39
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA1B P35368 1/20 0.39
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 1/20 0.37
HTR6 P50406 1/20 0.36
MCHR1 Q99705 1/20 0.35
HTR2C P28335 1/20 0.35
HRH1 P35367 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
SCHEMBL5530513 0.95 MAPT (0.43) MAPTDRD4ALDH1A1HTTDRD2
SCHEMBL5525690 0.91 PARP1 (0.40) DRD4DRD2DRD3ADRA1BKDM4E
SCHEMBL5528656 0.84 KDM4E (0.49) MAPTALDH1A1KDM4EKMT2A
SCHEMBL5529004 0.84 PARP1 (0.38) DRD4ALDH1A1HTTDRD2DRD3
SCHEMBL5525288 0.84 KMT2A (0.45) MAPTDRD4ALDH1A1DRD2DRD3
SCHEMBL5535139 0.82 NPC1 (0.37) MAPTDRD4ALDH1A1HTTHTR1A
SCHEMBL5531534 0.82 PARP1 (0.43) HTR1AKDM4EHTR2C
SCHEMBL5525437 0.81 DRD4 (0.37) MAPTDRD4DRD2DRD3HTR1A
SCHEMBL5523950 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2A
SCHEMBL5525433 0.78 SMN1; SMN2 (0.42) MAPTDRD4ALDH1A1HTTDRD2

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 MAPT 4397/4885DRD4 3248/4885ALDH1A1 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.