SCHEMBL6299002

SCHEMBL6299002

O=[N+]([O-])c1ccc(N=S(=O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
CA2 P00918 5/20 0.50
CA12 O43570 4/20 0.50
CA9 Q16790 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
AGTR1 P30556 1/20 0.50
HSD11B1 P28845 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 3/20 0.47
MAPK1 P28482 2/20 0.47
RAB9A P51151 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
CA1 P00915 4/20 0.47
CA14 Q9ULX7 2/20 0.47
CA3 P07451 1/20 0.47

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
SCHEMBL4860669 0.79 ALDH1A1 (0.57) ALDH1A1CA2CA12CA9SMN1; SMN2
SCHEMBL2820858 0.78 CA12 (0.49) ALDH1A1CA2CA12CA9SMN1; SMN2
SCHEMBL11655146 0.77 AGTR1 (0.64) ALDH1A1CA2CA12CA9SMN1; SMN2
SCHEMBL3895943 0.77 AGTR1 (0.64) ALDH1A1CA2CA12CA9SMN1; SMN2
SCHEMBL28443830 0.74 HSD11B1 (0.57) ALDH1A1CA2CA12CA9SMN1; SMN2
SCHEMBL6544697 0.74 ALDH1A1 (0.58) ALDH1A1CA2CA12CA9SMN1; SMN2
SCHEMBL17548058 0.74 IDO1 (0.44) ALDH1A1CA2CA12CA9SMN1; SMN2
SCHEMBL5559803 0.74 ALDH1A1 (0.64) ALDH1A1CA2CA12CA9SMN1; SMN2
SCHEMBL2820495 0.74 ALDH1A1 (0.58) ALDH1A1CA2CA12CA9SMN1; SMN2
SCHEMBL4579124 0.74 NOS1 (0.52) ALDH1A1CA2CA12CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933390-B2 Process for the arylation of aza-heterocycles with activated aromatics in presence of caesium carbonate WARNER-LAMBERT COMPANY (US) 2005-08-23 US disclosed
US-20040249185-A1 Process for the arylation of aza-heterocycles with activated aromatics in presence of caesium carbonate BARTH HUBERT (DE) 2004-12-09 US disclosed
US-6774242-B1 REACTING WITH INDOLE IN APROTIC SOLVENT GOEDECKE GMBH (DE) 2004-08-10 US disclosed
EP-1165512-A2 METHOD FOR ARYLATING AZA-HETEROCYCLES WITH ACTIVATED AROMATIC COMPOUNDS IN THE PRESENCE OF CESIUM CARBONATE GÖDECKE GMBH (DE) 2002-01-02 EP disclosed
WO-2000059883-A2 METHOD FOR PRODUCING N-ARYL-AZA-HETEROCYCLES IN THE PRESENCE OF CESIUM CARBONATE Gödecke GmbH (DE) 2000-10-12 WO 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-20040249185-A1 Process for the arylation of aza-heterocycles with activated aromatics in presence of caesium carbonate AZI2, KCNH1, CA7 ALDH1A1 1184/4885CA2 65/4885CA12 129/4885

“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.