SCHEMBL13401425

SCHEMBL13401425

O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP22 Q9NRW4 1/20 0.57
PSD A5PKW4 1/20 0.56
MEN1 O00255 9/20 0.55
KMT2A Q03164 9/20 0.55
ALDH1A1 P00352 5/20 0.55
MAPT P10636 4/20 0.55
TDP1 Q9NUW8 4/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 5/20 0.52
USP2 O75604 1/20 0.52
CASP6 P55212 1/20 0.52
BLM P54132 2/20 0.51
PLG P00747 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL9120921 0.82 DUSP22 (0.64) DUSP22PSDMEN1KMT2AALDH1A1
SCHEMBL3904145 0.80 PTPN12 (0.60) DUSP22MEN1KMT2AALDH1A1MAPT
SCHEMBL3904147 0.80 PTPN12 (0.60) DUSP22MEN1KMT2AALDH1A1MAPT
SCHEMBL9618990 0.80 MEN1 (0.56) DUSP22PSDMEN1KMT2AALDH1A1
SCHEMBL9618989 0.80 MEN1 (0.56) DUSP22PSDMEN1KMT2AALDH1A1
SCHEMBL5993646 0.75 PSD (0.77) DUSP22PSDMEN1KMT2AALDH1A1
SCHEMBL3890702 0.74 PTPN12 (0.66) DUSP22MEN1KMT2AALDH1A1MAPT
SCHEMBL3890707 0.74 PTPN12 (0.66) DUSP22MEN1KMT2AALDH1A1MAPT
SCHEMBL10144740 0.73 MAPT (0.68) DUSP22PSDMEN1KMT2AMAPT
SCHEMBL17762590 0.72 DUSP22 (1.00) DUSP22MEN1KMT2AALDH1A1MAPT

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-20100093611-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES AVALON PHARMACEUTICALS, INC. 2010-04-15 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-20100093611-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES IKBKB, IKBKG, NFKBIA DUSP22 728/4885PSD 4398/4885MEN1 3698/4885

“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.