SCHEMBL12373561

SCHEMBL12373561

O=[N+]([O-])/C=C1/NCCN1Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
CHRNA1 P02708 1/20 0.59
CHRNA3 P32297 1/20 0.59
CHRNA7 P36544 1/20 0.59
CYP2C19 P33261 4/20 0.41
CYP2C9 P11712 3/20 0.41
MAPT P10636 3/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
POLB P06746 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP1A2 P05177 2/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL1866150 1.00 SMN1; SMN2 (0.67) SMN1; SMN2CHRNA1CHRNA3CHRNA7CYP2C19
SCHEMBL1866151 1.00 SMN1; SMN2 (0.67) SMN1; SMN2CHRNA1CHRNA3CHRNA7CYP2C19
SCHEMBL28133606 0.93 SMN1; SMN2 (0.60) SMN1; SMN2CHRNA1CHRNA3CHRNA7CYP2C19
SCHEMBL7981835 0.93 CHRNA1 (0.69) SMN1; SMN2CHRNA1CHRNA3CHRNA7CYP2C19
SCHEMBL9408645 0.93 CHRNA1 (0.69) SMN1; SMN2CHRNA1CHRNA3CHRNA7CYP2C19
SCHEMBL9408589 0.87 SMN1; SMN2 (0.73) SMN1; SMN2CHRNA1CHRNA3CHRNA7CYP2C19
SCHEMBL10738344 0.87 SMN1; SMN2 (0.69) SMN1; SMN2CHRNA1CHRNA3CHRNA7CYP2C19
SCHEMBL10738351 0.87 SMN1; SMN2 (0.69) SMN1; SMN2CHRNA1CHRNA3CHRNA7CYP2C19
SCHEMBL9408584 0.87 SMN1; SMN2 (0.73) SMN1; SMN2CHRNA1CHRNA3CHRNA7CYP2C19
SCHEMBL28402275 0.87 SMN1; SMN2 (0.62) SMN1; SMN2CHRNA1CHRNA3CHRNA7CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466289-B2 Heterocyclic sulfonamide derivatives NOVARTIS AG (CH) 2013-06-18 US disclosed
US-8466289-B2 Heterocyclic sulfonamide derivatives NOVARTIS AG (CH) 2013-06-18 US disclosed
US-20110190334-A1 Heterocyclic Sulfonamide Derivatives NOVARTIS AG (CH) 2011-08-04 US disclosed
US-20110190334-A1 Heterocyclic Sulfonamide Derivatives NOVARTIS AG (CH) 2011-08-04 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-20110190334-A1 Heterocyclic Sulfonamide Derivatives BRAF, KSR2, NRAS SMN1; SMN2 3656/4885CHRNA1 4536/4885CHRNA3 4789/4885

“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.