SCHEMBL2033207

SCHEMBL2033207

NC(=NO)c1cnc(N)s1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.40
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MYC P01106 1/20 0.33
WDR5 P61964 1/20 0.33
CSNK2A1 P68400 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
BACE1 P56817 1/20 0.31
HRH2 P25021 3/20 0.30
ADORA3 P0DMS8 1/20 0.30
SLC6A3 Q01959 1/20 0.30
EPHX2 P34913 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
SCHEMBL12580732 1.00 NOS1 (0.40) NOS1ALDH1A1HPGDALOX15MYC
SCHEMBL23539956 0.78 HCAR2 (0.52) NOS1
SCHEMBL23539952 0.78 HCAR2 (0.52) NOS1
SCHEMBL1636287 0.74
SCHEMBL1631557 0.70
SCHEMBL14329820 0.69 NOS1 (0.43) NOS1ALDH1A1HPGDALOX15MYC
Hydrochloric Acid SCHEMBL10851700 0.69 CDC7 (0.50) ALDH1A1HPGDSMN1; SMN2
SCHEMBL4519703 0.68
SCHEMBL21469422 0.68
SCHEMBL5875612 0.68

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 689/4885ALDH1A1 1233/4885HPGD 866/4885

“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.