SCHEMBL9909428

SCHEMBL9909428

CNNc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
TSHR P16473 1/20 0.55
MAPT P10636 6/20 0.54
PKM P14618 1/20 0.54
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALPG P10696 1/20 0.46
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 2/20 0.44
VCAM1 P19320 1/20 0.44
PDE7A Q13946 1/20 0.43
PDE7B Q9NP56 1/20 0.43

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
SCHEMBL487351 0.86 MAPK1 (0.58) MAPK1TSHRMAPTPKMLMNA
SCHEMBL12693585 0.83 TSHR (0.55) MAPK1TSHRMAPTPKMLMNA
SCHEMBL27958762 0.82 TSHR (0.58) MAPK1TSHRMAPTPKMLMNA
SCHEMBL10853042 0.81 PDE7A (0.51) MAPK1TSHRMAPTPKMLMNA
SCHEMBL437440 0.79 TSHR (0.58) MAPK1TSHRMAPTPKMLMNA
SCHEMBL28244904 0.79 TSHR (0.58) MAPK1TSHRMAPTPKMLMNA
SCHEMBL2016758 0.78 MAPT (0.63) MAPK1TSHRMAPTPKMLMNA
SCHEMBL2976885 0.78 MAPT (0.58) MAPK1TSHRMAPTPKMLMNA
SCHEMBL16752918 0.78 MAPK1 (0.53) MAPK1TSHRMAPTPKMLMNA
Hydrochloric Acid SCHEMBL28169484 0.77 TSHR (0.56) MAPK1TSHRMAPTPKMLMNA

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-8198309-B2 N-(2-(hetaryl)aryl) arylsulfonamides and N-(2-(hetaryl)hetaryl arylsulfonamides CHEMOCENTRYX, INC. (US) 2012-06-12 US disclosed
US-20100331302-A1 N-(2-(HETARYL)ARYL) ARYLSULFONAMIDES AND N-(2-(HETARYL)HETARYL ARYLSULFONAMIDES CHEMOCENTRYX, INC. (US) 2010-12-30 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-20100331302-A1 N-(2-(HETARYL)ARYL) ARYLSULFONAMIDES AND N-(2-(HETARYL)HETARYL ARYLSULFONAMIDES CCR9, CCR2, CCR10 MAPK1 3160/4885TSHR 1974/4885MAPT 4750/4885

“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.