SCHEMBL4510401

SCHEMBL4510401

O=C(Nc1ccc(Cn2cccn2)cc1)N1CCOC(COc2ccccc2Cl)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DRD4 P21917 5/20 0.42
EPHA2 P29317 9/20 0.41
KDR P35968 8/20 0.41
EPHB4 P54760 5/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4504899 0.92 EPHA2 (0.45) HPGDMEN1LMNAMAPTKMT2A
SCHEMBL4496434 0.84 LOXL2 (0.46) HPGDMEN1LMNAMAPTKMT2A
SCHEMBL4505025 0.84 ALDH1A1 (0.51) HPGDMEN1LMNAMAPTKMT2A
Hydrochloric Acid SCHEMBL4492473 0.78 PDK1 (0.41) DRD4EPHA2KDREPHB4
SCHEMBL4497031 0.76 TCF4 (0.47) HPGDMEN1LMNAMAPTKMT2A
Hydrochloric Acid SCHEMBL4505071 0.76 DRD4 (0.46) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL4506389 0.75 MEN1 (0.45) HPGDMEN1LMNAMAPTKMT2A
SCHEMBL4510657 0.75 PDK1 (0.46) LMNAMAPTKMT2ADRD4EPHA2
Hydrochloric Acid SCHEMBL4513041 0.75 DRD4 (0.44) LMNAMAPTSMN1; SMN2DRD4EPHA2
SCHEMBL4508306 0.75 ALOX5 (0.46) HPGDMEN1LMNAMAPTKMT2A

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-20090325956-A1 Aromatic amine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 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-20090325956-A1 Aromatic amine derivative and use thereof SCD, SCD5, SMS HPGD 1447/4885MEN1 4180/4885LMNA 247/4885

“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.