SCHEMBL3044607

SCHEMBL3044607

CN(C(=O)c1ccc2c(c1)OCO2)C(CC(N)=O)Cc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KMT2A Q03164 4/20 0.47
HPGD P15428 3/20 0.47
UTS2R Q9UKP6 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL3050019 1.00 NPC1 (0.47) NPC1RAB9AKMT2AHPGDUTS2R
SCHEMBL3053960 0.90 HPGD (0.47) NPC1RAB9AKMT2AHPGDSMN1; SMN2
SCHEMBL3053998 0.90 HPGD (0.47) NPC1RAB9AKMT2AHPGDSMN1; SMN2
SCHEMBL3044972 0.89 HPGD (0.60) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL3057846 0.89 HPGD (0.60) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL3040894 0.89 HPGD (0.60) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL3044613 0.88 UTS2R (0.48) NPC1RAB9AKMT2AHPGDUTS2R
SCHEMBL3050024 0.88 UTS2R (0.48) NPC1RAB9AKMT2AHPGDUTS2R
SCHEMBL3058328 0.83 TSHR (0.60) NPC1RAB9AKMT2AHPGDSMN1; SMN2
SCHEMBL3058204 0.83 TSHR (0.60) NPC1RAB9AKMT2AHPGDSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 US claimed
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 NPC1 686/4885RAB9A 4436/4885KMT2A 3047/4885

“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.