SCHEMBL3609964

SCHEMBL3609964

COC(=O)Cn1cc(C#N)c(-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KAT2B Q92831 1/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
EGFR P00533 1/20 0.34
CHRM3 P20309 2/20 0.34
F11 P03951 1/20 0.34
KLKB1 P03952 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3597635 0.92 ALDH1A1 (0.39) KDM4EALDH1A1POLBHPGDKAT2B
SCHEMBL3911826 0.89 KDM4E (0.37) KDM4EALDH1A1POLBHPGDKAT2B
SCHEMBL3598133 0.84 STAT3 (0.37) HPGD
SCHEMBL13404301 0.82 POLB (0.52) KDM4EALDH1A1POLBHPGDKMT2A
SCHEMBL3599843 0.81 AR (0.40) KDM4EALDH1A1POLBMAPTGAA
SCHEMBL3596100 0.78 RXRA (0.43) KDM4EPOLBMAPTGAACYP1A2
SCHEMBL4303748 0.78 KMT2A (0.39) KDM4EALDH1A1POLBHPGDMAPT
SCHEMBL3600090 0.77 AR (0.37) KDM4EALDH1A1POLBMAPTGAA
SCHEMBL3593248 0.77 ADRA1D (0.37) HPGD
SCHEMBL3597829 0.76 AR (0.35) KDM4EALDH1A1POLBMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2010-04-08 US disclosed
EP-1828172-B1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2009-11-25 EP disclosed
EP-1828172-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 2007-09-05 EP disclosed
WO-2006063763-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2006-06-22 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-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY PRLHR, AVPR2, CRHR2 KDM4E 2754/4885ALDH1A1 3117/4885POLB 2905/4885

“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.