SCHEMBL6625005

SCHEMBL6625005

CN(N)C(=O)Cc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
POLB P06746 1/20 0.59
APEX1 P27695 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.53
AOC3 Q16853 1/20 0.48
GAA P10253 2/20 0.46
CTBP2 P56545 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
USP2 O75604 1/20 0.43
RIPK1 Q13546 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
NSD2 O96028 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
SCHEMBL14959151 0.84 TDP1 (0.62) TDP1POLBAPEX1SMN1; SMN2GAA
SCHEMBL4432977 0.82 CTBP2 (0.46) TDP1POLBAPEX1SMN1; SMN2GAA
SCHEMBL22294668 0.82 CA12 (0.57) TDP1POLBAPEX1SMN1; SMN2
SCHEMBL4462525 0.81 TDP1 (0.56) TDP1POLBAPEX1SMN1; SMN2AOC3
SCHEMBL27614321 0.81 KMT2A (0.49) SMN1; SMN2KMT2AKDM4ETAAR1
SCHEMBL4430452 0.80 CES2 (0.52) AOC3KMT2A
SCHEMBL14415483 0.79 TDP1 (0.62) TDP1POLBAPEX1SMN1; SMN2GAA
SCHEMBL1399311 0.78 TDP1 (0.56) TDP1POLBAPEX1SMN1; SMN2GAA
SCHEMBL22294681 0.77 CA12 (0.56) SMN1; SMN2KMT2AALDH1A1
SCHEMBL4005375 0.77 TDP1 (0.74) TDP1POLBAPEX1SMN1; SMN2GAA

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
CN-1642600-A 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines PROCTER & GAMBLE (US) 2005-07-20 CN disclosed
EP-1485167-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS The Procter & Gamble Company (US) 2004-12-15 EP disclosed
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 disclosed
US-20030225082-A1 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines PROCTER & GAMBLE COMPANY, THE 2003-12-04 US disclosed
WO-2003080184-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS THE PROCTER & GAMBLE COMPANY (US) 2003-10-02 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-20030225082-A1 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines IL1B, IL1A, IL1R1 TDP1 2819/4885POLB 4407/4885APEX1 1315/4885

“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.