SCHEMBL7079113

SCHEMBL7079113

O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccnc2)c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
ALPL P05186 1/20 0.61
TSHR P16473 1/20 0.60
GAA P10253 1/20 0.60
LMNA P02545 2/20 0.58
PGR P06401 1/20 0.57
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
MMP1 P03956 1/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
MMP13 P45452 1/20 0.56

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
SCHEMBL2734370 0.86 CA2 (0.68) ALDH1A1KMT2AMEN1ALPLTSHR
SCHEMBL13265868 0.84 KMT2A (0.64) ALDH1A1KMT2AMEN1ALPLTSHR
SCHEMBL189025 0.83 KMT2A (0.71) ALDH1A1KMT2AMEN1LMNAPGR
SCHEMBL4101284 0.83 PGR (0.78) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL14537857 0.82 KMT2A (0.73) ALDH1A1KMT2AMEN1ALPLTSHR
SCHEMBL17978504 0.82 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1LMNAPGR
SCHEMBL9302174 0.81 MAPT (0.68) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL5034929 0.79 CYP19A1 (0.74) ALDH1A1KMT2AMEN1LMNA
SCHEMBL8248683 0.78 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1TSHRLMNA
SCHEMBL15043011 0.78 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030105139-A1 Indole derivatives as 5-HT receptor antagonist SMITHKLINE BEECHAM P.L.C. 2003-06-05 US disclosed
US-6235758-B1 CENTRAL NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-22 US disclosed
EP-0808312-B1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 2000-11-02 EP disclosed
US-5990133-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY OR DEPRESSION SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
EP-0808312-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1997-11-26 EP disclosed
WO-1996023783-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1996-08-08 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-20030105139-A1 Indole derivatives as 5-HT receptor antagonist HTR5A, HTR2C, HTR1A ALDH1A1 1399/4885KMT2A 1079/4885MEN1 2522/4885

“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.