SCHEMBL4240290

SCHEMBL4240290

O=C(O)CC(C(=O)O)C1CNCCc2c1ccc(Cl)c2NCc1ccc(C(=O)NCCc2cccnc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
PARP1 P09874 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 3/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
PTAFR P25105 2/20 0.37
TBXAS1 P24557 2/20 0.36
HSD17B1 P14061 1/20 0.36
NAMPT P43490 4/20 0.36
EIF4E P06730 1/20 0.36
TBXA2R P21731 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4243959 0.92 MAPT (0.39) HPGDPARP1MAPTHDAC2HDAC8
SCHEMBL4245052 0.88 MEN1 (0.40) HTTMAPTHDAC2HDAC8HDAC6
SCHEMBL4243003 0.85 HDAC3 (0.35) HPGDMAPTSMN1; SMN2POLB
SCHEMBL4239929 0.84 SMN1; SMN2 (0.41) HPGDHTTMAPTMEN1NPC1
SCHEMBL4244793 0.83 SLC40A1 (0.34) HPGDHTT
SCHEMBL4247402 0.82 ITGB3 (0.36)
SCHEMBL4247579 0.81 HPGD (0.39) HPGDPARP1NPC1RAB9ASMN1; SMN2
SCHEMBL4250667 0.81 IKBKB (0.31) HPGDMAPTPOLB
SCHEMBL4240983 0.81 WDR5 (0.35) MAPTGAA
SCHEMBL4243728 0.81 PPARG (0.40)

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 HPGD 3805/4885PARP1 3123/4885HTT 770/4885

“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.