SCHEMBL3879880

SCHEMBL3879880

C[C@H]([NH])c1ccccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.43
ALOX15 P16050 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 5/20 0.36
PIK3CA P42336 1/20 0.36
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
PTGS1 P23219 2/20 0.36
ADRA2B P18089 1/20 0.36
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL5621598 1.00 CYP3A4 (0.43) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL29765571 0.79 CYP3A4 (0.47) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL732167 0.79 CYP3A4 (0.47) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL30223644 0.79 GABRA1 (0.50) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL104513 0.79 GABRA1 (0.50) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL16512108 0.79 CYP3A4 (0.48) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL1061130 0.79 CYP3A4 (0.48) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL6201553 0.79 CYP3A4 (0.48) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL21534246 0.79 CYP3A4 (0.47) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
Bromide SCHEMBL7344099 0.77 GABRA1 (0.48) CYP3A4ALOX15CASP1CASP7SMN1; SMN2

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482356-B2 Bicyclic pyrazolone cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 US claimed
US-20050113392-A1 Bicyclic pyrazolone cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-05-26 US claimed
EP-1427727-B1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES PROCTER & GAMBLE (US) 2005-01-26 EP claimed
EP-1485167-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS The Procter & Gamble Company (US) 2004-12-15 EP claimed
US-6821971-B2 FOR PROPHYALXIS OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE (IBS), SEPTIC SHOCK, CARDIOPULMONARY DYSFUNCTION, ACUTE RESPIRATORY DISEASE, CACHEXIA THE PROCTER & GAMBLE COMPANY 2004-11-23 US claimed
EP-1427727-A1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2004-06-16 EP claimed
US-6677337-B2 RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE, CACHEXIA, SEPTIC SHOCK, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS THE PROCTER & GAMBLE COMPANY 2004-01-13 US claimed
US-20030225082-A1 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines PROCTER & GAMBLE COMPANY, THE 2003-12-04 US claimed
WO-2003080184-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS THE PROCTER & GAMBLE COMPANY (US) 2003-10-02 WO claimed
US-20030105084-A1 Compound which inhibit the release of inflammatory cytokines THE PROCTER & GAMBLE COMPANY 2003-06-05 US claimed
WO-2003024970-A1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2003-03-27 WO claimed
US-20090069355-A1 Bicyclic pyrazolone cytokine inhibitors CLARK MICHAEL PHILIP 2009-03-12 US disclosed
US-7482356-B2 Bicyclic pyrazolone cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 US disclosed
US-7368455-B2 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY (US) 2008-05-06 US disclosed
US-7326714-B2 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY (US) 2008-02-05 US disclosed
US-20030105084-A1 Compound which inhibit the release of inflammatory cytokines THE PROCTER & GAMBLE COMPANY 2003-06-05 US disclosed
US-6566357-B1 To inhibit the extracellular release of inflammatory cytokines; therapy THE PROCTER & GAMBLE CO. 2003-05-20 US disclosed
WO-2003024973-A1 SPIROCYCLIC-6,7-DIHYDRO-5H-PYRAZOLO[1,2-A]PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2003-03-27 WO disclosed
WO-2003024970-A1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2003-03-27 WO disclosed
WO-2003024971-A1 6,7-DIHYDRO-5H-PYRAZOLO[1,2-A]PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2003-03-27 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 (4 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-20030105084-A1 Compound which inhibit the release of inflammatory cytokines IL1B, IL1A, TNF CYP3A4 370/4885ALOX15 614/4885CASP1 29/4885
US-20050113392-A1 Bicyclic pyrazolone cytokine inhibitors IL1B, IL1A, IL1RN CYP3A4 1560/4885ALOX15 669/4885CASP1 41/4885
US-20030225082-A1 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines IL1B, IL1A, IL1R1 CYP3A4 757/4885ALOX15 1023/4885CASP1 37/4885
US-20090069355-A1 Bicyclic pyrazolone cytokine inhibitors IL1B, IL1A, IL1RN CYP3A4 1560/4885ALOX15 669/4885CASP1 41/4885

“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.