SCHEMBL3056941

SCHEMBL3056941

O=C(CN[C@H](CCNC(=O)c1ccccc1)Cc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
CTRB1 P17538 3/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SIGMAR1 Q99720 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 2/20 0.46
PIN1 Q13526 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALOX12 P18054 1/20 0.43
POLB P06746 1/20 0.43
CTSL P07711 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL3040918 1.00 EPHX2 (0.52) EPHX2CTRB1NPC1RAB9ASIGMAR1
SCHEMBL3047174 0.88 EPHX2 (0.60) EPHX2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3054999 0.88 EPHX2 (0.60) EPHX2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3706360 0.82 DPP4 (0.47) CTRB1SIGMAR1SMN1; SMN2PIN1CTSL
SCHEMBL8820357 0.80 MAPK1 (0.51) CTRB1NPC1RAB9ASIGMAR1SMN1; SMN2
SCHEMBL3059934 0.76 DPP4 (0.47) CTRB1SIGMAR1SMN1; SMN2PIN1CTSL
SCHEMBL3058398 0.76 DPP4 (0.47) CTRB1SIGMAR1SMN1; SMN2PIN1CTSL
SCHEMBL3045267 0.76 DPP4 (0.47) CTRB1SIGMAR1SMN1; SMN2PIN1CTSL
SCHEMBL7468481 0.72 SIGMAR1 (0.51) SIGMAR1SMN1; SMN2HPGD
SCHEMBL17944509 0.72 SIGMAR1 (0.51) SIGMAR1SMN1; SMN2HPGD

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-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 EPHX2 1742/4885CTRB1 3963/4885NPC1 686/4885

“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.