SCHEMBL3044613

SCHEMBL3044613

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KMT2A Q03164 4/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 3/20 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
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 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
SCHEMBL3050024 1.00 UTS2R (0.48) UTS2RNPC1RAB9AKMT2AHPGD
SCHEMBL3053999 0.90 HPGD (0.47) NPC1RAB9AKMT2AHPGDALDH1A1
SCHEMBL3053964 0.90 HPGD (0.47) NPC1RAB9AKMT2AHPGDALDH1A1
SCHEMBL3044976 0.89 HPGD (0.60) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL3040900 0.89 HPGD (0.60) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL3057851 0.89 HPGD (0.60) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL3050019 0.88 NPC1 (0.47) UTS2RNPC1RAB9AKMT2AHPGD
SCHEMBL3044607 0.88 NPC1 (0.47) UTS2RNPC1RAB9AKMT2AHPGD
SCHEMBL3058209 0.83 TSHR (0.60) NPC1RAB9AKMT2AHPGDALDH1A1
SCHEMBL3058333 0.83 TSHR (0.60) NPC1RAB9AKMT2AHPGDALDH1A1

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 UTS2R 1471/4885NPC1 686/4885RAB9A 4436/4885

“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.