SCHEMBL6772124

SCHEMBL6772124

Cc1nnc(-c2nsc3ccc([N+](=O)[O-])cc23)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.37
HTT P42858 2/20 0.37
PSMB8 P28062 1/20 0.37
MAPT P10636 7/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 7/20 0.36
NPC1 O15118 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 3/20 0.35
HPGD P15428 3/20 0.35
GAA P10253 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
NPY1R P25929 1/20 0.35

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 0.78 SMN1; SMN2 (0.46) SMN1; SMN2HTTMAPTRAB9AALDH1A1
SCHEMBL4040996 0.78 SMN1; SMN2 (0.46) SMN1; SMN2HTTMAPTRAB9AALDH1A1
SCHEMBL11367151 0.76 MAPT (0.47) SMN1; SMN2HTTMAPTRAB9AALDH1A1
SCHEMBL6771391 0.76 HTT (0.44) SMN1; SMN2HTTMAPTALDH1A1TSHR
SCHEMBL11366588 0.74 ALDH1A1 (0.51) SMN1; SMN2HTTMAPTALDH1A1TSHR
SCHEMBL11208894 0.73 MAPT (0.59) SMN1; SMN2HTTPSMB8MAPTRAB9A
SCHEMBL11568065 0.71 MIF (0.49) SMN1; SMN2HTTMAPTRAB9AALDH1A1
SCHEMBL11350394 0.71 MAPT (0.50) SMN1; SMN2HTTMAPTRAB9AALDH1A1
SCHEMBL11594927 0.70 ALDH1A1 (0.50) SMN1; SMN2HTTMAPTRAB9AALDH1A1
SCHEMBL223767 0.70 MAPT (0.65) SMN1; SMN2HTTMAPTRAB9AALDH1A1

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 SMN1; SMN2 3446/4885HTT 862/4885PSMB8 2652/4885

“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.