SCHEMBL18158923

SCHEMBL18158923

O=Cc1cnc(SCl)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
XDH P47989 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
ALDH3A1 P30838 2/20 0.40
ALDH1A1 P00352 7/20 0.39
MAPT P10636 5/20 0.37
ALDH1A3 P47895 1/20 0.37
LMNA P02545 3/20 0.34
HPGD P15428 3/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ERN1 O75460 1/20 0.33

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
SCHEMBL18397150 0.84 SMN1; SMN2 (0.48) VCAM1SMN1; SMN2XDHALDH5A1ABAT
SCHEMBL29859149 0.84 SMN1; SMN2 (0.48) VCAM1SMN1; SMN2XDHALDH5A1ABAT
SCHEMBL4175079 0.78 VCAM1 (0.54) VCAM1SMN1; SMN2XDHALDH5A1ABAT
SCHEMBL29956980 0.75 XDH (0.54) VCAM1XDHALDH5A1ABATALDH3A1
SCHEMBL27823778 0.75 XDH (0.46) VCAM1SMN1; SMN2XDHALDH5A1ABAT
SCHEMBL29951203 0.75 XDH (0.46) VCAM1SMN1; SMN2XDHALDH5A1ABAT
SCHEMBL14060039 0.71 ALDH1A1 (0.45) VCAM1SMN1; SMN2XDHALDH5A1ABAT
SCHEMBL10951439 0.67 VCAM1 (0.63) VCAM1XDHALDH5A1ABATALDH3A1
SCHEMBL6538062 0.67 PDE10A (0.57) VCAM1SMN1; SMN2ALDH5A1ABATALDH1A1
SCHEMBL795882 0.66 MEN1 (0.62) SMN1; SMN2ALDH1A1MAPTLMNAHTT

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-20160304459-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND APPLICATION THEREFOR TOKYO UNIVERSITY OF PHARMACY & LIFE SCIENCES (JP) 2016-10-20 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-20160304459-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND APPLICATION THEREFOR VIP, MRPL21, THEM6 VCAM1 2457/4885SMN1; SMN2 4755/4885XDH 3306/4885

“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.