SCHEMBL2033202

SCHEMBL2033202

N=C(NO)c1cnc(N)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.39
HDAC1 Q13547 6/20 0.34
HDAC6 Q9UBN7 5/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
EPHX2 P34913 1/20 0.33
MYC P01106 1/20 0.32
WDR5 P61964 1/20 0.32
CSNK2A1 P68400 1/20 0.32
HDAC3 O15379 3/20 0.31
HDAC4 P56524 3/20 0.31
HDAC7 Q8WUI4 3/20 0.31
HDAC2 Q92769 3/20 0.31
HDAC10 Q969S8 3/20 0.31
HDAC11 Q96DB2 3/20 0.31
HDAC8 Q9BY41 3/20 0.31
HDAC9 Q9UKV0 3/20 0.31
HDAC5 Q9UQL6 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4219879 0.79 HDAC1 (0.50) NOS1HDAC1HDAC6ALDH1A1HPGD
SCHEMBL23539953 0.76 HCAR2 (0.52) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL25365142 0.70 HDAC6 (0.45) HDAC1HDAC6HPGD
SCHEMBL1636287 0.68
SCHEMBL1631557 0.68
SCHEMBL29035247 0.68 HDAC6 (0.33) HDAC6
SCHEMBL4519703 0.67
SCHEMBL21469422 0.67
SCHEMBL5875612 0.67
Water SCHEMBL28159942 0.67 HCAR2 (0.55) NOS1ALDH1A1HPGDALOX15MYC

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-8338599-B2 Compounds having a potentiating effect on the activity of ethionamide and uses thereof INSTITUT PASTEUR DE LILLE (FR) 2012-12-25 US disclosed
US-20110136823-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF INSTITUT PASTEUR DE LILLE (FR) 2011-06-09 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-20110136823-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF EPX, PGLS, ENPEP NOS1 689/4885HDAC1 139/4885HDAC6 1471/4885

“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.