SCHEMBL3056985

SCHEMBL3056985

CNC(CCNC(=O)c1ccccn1)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.62
KMT2A Q03164 6/20 0.56
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 4/20 0.49
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL3055749 1.00 EPHX2 (0.62) EPHX2KMT2ASMN1; SMN2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL2012639 0.99 EPHX2 (0.61) EPHX2KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL2049743 0.83 P2RX7 (0.48) EPHX2SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL3055746 0.80 EPHX2 (0.62) EPHX2KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL3056982 0.80 EPHX2 (0.62) EPHX2KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL3039937 0.78 MTNR1A (0.57) LMNA
SCHEMBL7392610 0.78 EPHX2 (0.71) EPHX2KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL3055737 0.78 MTNR1A (0.57) LMNA
SCHEMBL22929181 0.78 EPHX2 (0.63) EPHX2KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL13138994 0.77 KMT2A (0.55) EPHX2KMT2ASMN1; SMN2ALDH1A1MEN1

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 4 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
WO-2010086366-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-08-05 WO claimed
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 US disclosed
WO-2010086366-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-08-05 WO 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 1742/4885KMT2A 3047/4885SMN1; SMN2 2299/4885

“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.