SCHEMBL5525288

SCHEMBL5525288

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
DRD4 P21917 7/20 0.38
DRD3 P35462 6/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36
DRD2 P14416 4/20 0.35
CXCR3 P49682 2/20 0.35
TP53 P04637 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ADORA1 P30542 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
SCHEMBL5525433 0.94 SMN1; SMN2 (0.42) KMT2ADRD4DRD3MAPTKDM4E
SCHEMBL5530846 0.90 DRD2 (0.39) KMT2ADRD4DRD3KDM4ESMN1; SMN2
SCHEMBL5525437 0.85 DRD4 (0.37) KMT2ADRD4DRD3MAPTDRD2
SCHEMBL5529068 0.85 TP53 (0.37) KMT2ADRD4DRD3KDM4ESMN1; SMN2
SCHEMBL5522872 0.84 MAPT (0.43) KMT2ADRD4DRD3MAPTKDM4E
SCHEMBL5520783 0.84 KDM4E (0.50) KMT2AKDM4EALDH1A1LMNA
SCHEMBL5530837 0.81 MTOR (0.39) DRD4MAPTALDH1A1DRD2
SCHEMBL5528273 0.79 MAPT (0.39) KMT2ADRD4DRD3MAPTKDM4E
SCHEMBL5525377 0.78 KDM4E (0.50) KMT2AKDM4EALDH1A1LMNA
SCHEMBL5530513 0.78 MAPT (0.43) DRD4DRD3MAPTKDM4ESMN1; SMN2

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 KMT2A 2389/4885DRD4 3248/4885DRD3 3936/4885

“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.