SCHEMBL6771391

SCHEMBL6771391

Cc1nnc(-c2nsc3ccc([N+](=O)[O-])cc23)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 7/20 0.42
POLB P06746 3/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 6/20 0.40
GAA P10253 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 3/20 0.36
TSHR P16473 2/20 0.36
HSD11B1 P28845 1/20 0.36
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
MGAM O43451 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
PKM P14618 2/20 0.36
NPY1R P25929 1/20 0.36

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
SCHEMBL31165708 0.79 SMN1; SMN2 (0.46) HTTSMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL4040996 0.79 SMN1; SMN2 (0.46) HTTSMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL11367151 0.77 MAPT (0.47) HTTSMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL6772124 0.76 SMN1; SMN2 (0.37) HTTSMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL11366588 0.75 ALDH1A1 (0.51) HTTSMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL11208894 0.74 MAPT (0.59) HTTSMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL6777567 0.73 MAPT (0.42) HTTSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL6766590 0.73 MIF (0.39) HTTSMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL11568065 0.72 MIF (0.49) HTTSMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL11350394 0.72 MAPT (0.50) HTTSMN1; SMN2ALDH1A1LMNAMAPT

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-6706663-B2 CHEMICAL INTERMEDIATES WYETH 2004-03-16 US disclosed
US-20020028748-A1 Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds INTELLECTUAL PROPERTY DEPARTMENT BASF AKTIENGESELLSCHAFT (DE) 2002-03-07 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-20020028748-A1 Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds CYP4X1, HAX1, DDT HTT 862/4885SMN1; SMN2 3446/4885ALDH1A1 201/4885

“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.