SCHEMBL4940704

SCHEMBL4940704

Nc1cccc(CN(CCCl)CCCl)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
MAOA P21397 2/20 0.47
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
CYP3A4 P08684 1/20 0.41
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41
HSD11B1 P28845 1/20 0.38
MAPT P10636 1/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38

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
SCHEMBL1206253 0.83 TSHR (0.50) MAOBMAOACYP19A1MAPTOPRM1
SCHEMBL374433 0.78 PRKCI (0.52) MAOBMAOACYP19A1CYP3A4CASP1
Hydrochloric Acid SCHEMBL5913484 0.77 ACHE (0.53) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL24556413 0.76 MAPT (0.54) MAPTOPRM1OPRD1OPRK1
SCHEMBL21326532 0.75 MAOB (0.65) MAOBMAOACYP19A1ALDH1A1SIGMAR1
SCHEMBL10646371 0.75 BCHE (0.54) MAOBMAOACYP19A1SIGMAR1OPRM1
SCHEMBL3338130 0.74
SCHEMBL373667 0.74 OPRM1 (0.48) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL30896271 0.74
SCHEMBL1662489 0.74

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-20080176889-A1 9-anilinoacridine alkylating agents ACADEMIA SINICA (TW) 2008-07-24 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-20080176889-A1 9-anilinoacridine alkylating agents BCL9, MCL1, BCL9L MAOB 4361/4885MAOA 4191/4885CYP19A1 3443/4885

“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.