SCHEMBL4245052

SCHEMBL4245052

O=C(O)CC(C(=O)O)C1CNCCc2c1ccc(Cl)c2NCc1ccc(C(=O)NCc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.38
PPARG P37231 2/20 0.37
HTT P42858 2/20 0.36
WDR5 P61964 1/20 0.36
HDAC3 O15379 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHRM3 P20309 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
MAOA P21397 1/20 0.35
ACP1 P24666 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
SCHEMBL4239929 0.91 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL4243728 0.91 PPARG (0.40) PPARGWDR5CHRM3
SCHEMBL4247579 0.90 HPGD (0.39) ALDH1A1LMNAMAOA
SCHEMBL4243003 0.89 HDAC3 (0.35) ALDH1A1HDAC3MAPT
SCHEMBL4247402 0.89 ITGB3 (0.36) WDR5
SCHEMBL4250667 0.88 IKBKB (0.31) MAPT
SCHEMBL4247595 0.88 ACKR3 (0.35) MEN1KMT2ALMNA
SCHEMBL4244793 0.88 SLC40A1 (0.34) HTTWDR5
SCHEMBL4240290 0.88 HPGD (0.40) MEN1KMT2AHTTMAPTHDAC2
SCHEMBL4247987 0.87

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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 MEN1 3996/4885KMT2A 1239/4885ALDH1A1 866/4885

“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.