SCHEMBL6199708

SCHEMBL6199708

CS(=O)(=O)c1ccc(-n2cncc2-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.53
IDO1 P14902 2/20 0.47
TDO2 P48775 1/20 0.46
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGS1 P23219 2/20 0.42
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL6291056 0.88 ALDH1A1 (0.48) PTGS2ALDH1A1RAB9ASMN1; SMN2PTGS1
SCHEMBL15208127 0.85 ALDH1A1 (0.42) PTGS2IDO1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL15208438 0.84 ALDH1A1 (0.42) PTGS2IDO1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6289849 0.84 PTGS2 (0.59) PTGS2IDO1TDO2PTGS1
SCHEMBL6294248 0.83 PTGS2 (0.63) PTGS2IDO1TDO2PTGS1
SCHEMBL6180979 0.83 PTGS2 (0.63) PTGS2IDO1TDO2PTGS1
SCHEMBL6291198 0.83 PTGS2 (0.60) PTGS2IDO1PTGS1
SCHEMBL13790977 0.82 MEN1 (0.49) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5698592 0.82 IDO1 (0.52) PTGS2IDO1TDO2PTGS1
SCHEMBL6291219 0.82 PTGS2 (0.58) PTGS2IDO1TDO2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838476-B1 Cyclooxygenase inhibitors; anticancer agents J. URIACH & CIA, SA (ES) 2005-01-04 US claimed
EP-1122243-B1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY URIACH Y COMPANIA S A J (ES) 2004-09-08 EP claimed
EP-1122243-A1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY J. URIACH & CIA. S.A. (ES) 2001-08-08 EP claimed
EP-1281709-B1 NOVEL HETEROCYCLIC COMPOUNDS WITH ANTI-INFLAMMATORY ACTIVITY URIACH Y COMPANIA S A J (ES) 2005-02-16 EP disclosed
EP-1122243-B1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY URIACH Y COMPANIA S A J (ES) 2004-09-08 EP disclosed
US-20030114456-A1 Novel heterocylic compounds with anti-inflamatory activity J. URIACH & CIA, S.A. (ES) 2003-06-19 US disclosed
EP-1281709-A1 NOVEL HETEROCYCLIC COMPOUNDS WITH ANTI-INFLAMMATORY ACTIVITY J. URIACH & CIA. S.A. (ES) 2003-02-05 EP disclosed
EP-1122243-A1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY J. URIACH & CIA. S.A. (ES) 2001-08-08 EP 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-20030114456-A1 Novel heterocylic compounds with anti-inflamatory activity IL1B, IL1A, NFKBIA PTGS2 23/4885IDO1 143/4885TDO2 1084/4885

“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.