SCHEMBL7214977

SCHEMBL7214977

CC(C)(C)CCNC(=O)c1ccc(/C(N)=N\O)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.60
NAMPT P43490 2/20 0.47
HDAC1 Q13547 5/20 0.47
HDAC2 Q92769 5/20 0.47
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ESRRG P62508 1/20 0.43
ALDH1A1 P00352 1/20 0.41
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL7214982 1.00 MLYCD (0.60) MLYCDNAMPTHDAC1HDAC2NPC1
SCHEMBL17865780 0.85 MLYCD (0.77) MLYCDNAMPTNPC1RAB9ASMN1; SMN2
SCHEMBL16963429 0.85 MLYCD (0.49) MLYCDHDAC1HDAC2NPC1RAB9A
SCHEMBL16996774 0.85 MLYCD (0.49) MLYCDHDAC1HDAC2NPC1RAB9A
SCHEMBL16963427 0.85 MLYCD (0.49) MLYCDHDAC1HDAC2NPC1RAB9A
SCHEMBL19938019 0.81 MLYCD (0.67) MLYCDNAMPTHDAC1HDAC2NPC1
SCHEMBL22265984 0.80 HDAC1 (0.70) MLYCDHDAC1HDAC2NPC1RAB9A
SCHEMBL22265982 0.80 HDAC1 (0.70) MLYCDHDAC1HDAC2NPC1RAB9A
SCHEMBL5687748 0.79 MLYCD (0.69) MLYCDNAMPTHDAC1HDAC2NPC1
SCHEMBL12243059 0.79 MLYCD (0.69) MLYCDHDAC1NPC1RAB9ASMN1; 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-6624309-B1 Administering 4-heterocyclicbenzamide derivative BRISTOL-MYERS SQUIBB COMPANY 2003-09-23 US disclosed
US-20020137968-A1 Benzoic acid derivatives and related compounds as antiarrhythmic agents LLOYD JOHN (US) 2002-09-26 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-20020137968-A1 Benzoic acid derivatives and related compounds as antiarrhythmic agents SCN1A, SCN1B, NR0B1 MLYCD 2637/4885NAMPT 559/4885HDAC1 401/4885

“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.