SCHEMBL6604839

SCHEMBL6604839

CCCOc1c(F)c(-c2ccc(C(=O)OC)cc2)nn1CCOc1ccc2cc(Br)ccc2c1Br

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.37
NLRP3 Q96P20 1/20 0.36
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
RXFP1 Q9HBX9 5/20 0.36
KMT2A Q03164 1/20 0.36
MAP2K4 P45985 1/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MERTK Q12866 2/20 0.34
CCR5 P51681 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPK8 P45983 1/20 0.33
PTPN1 P18031 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
SCHEMBL6601615 0.95 NCEH1 (0.38) NCEH1LMNASMN1; SMN2RXFP1KMT2A
SCHEMBL6602174 0.92 PTGFR (0.38) NCEH1LMNASMN1; SMN2RXFP1KMT2A
SCHEMBL6606279 0.92 PLAU (0.38) NCEH1LMNASMN1; SMN2RXFP1KMT2A
SCHEMBL6604292 0.91 RXFP1 (0.36) NCEH1LMNASMN1; SMN2RXFP1KMT2A
SCHEMBL6605414 0.88 NCEH1 (0.39) NCEH1LMNASMN1; SMN2RXFP1KMT2A
SCHEMBL6601619 0.87 PTGFR (0.39) NCEH1RXFP1KMT2AKDM4EALDH1A1
SCHEMBL6600752 0.87 PLAU (0.39) NCEH1LMNASMN1; SMN2RXFP1KMT2A
SCHEMBL6605519 0.86 RXFP1 (0.37) NCEH1LMNASMN1; SMN2RXFP1KMT2A
SCHEMBL6605028 0.85 PTPN11 (0.39) RXFP1KMT2A
SCHEMBL6604911 0.84 RXFP1 (0.38) NCEH1LMNASMN1; SMN2RXFP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION 2004-09-16 US disclosed
EP-1432689-A1 PYRAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS Bayer Corporation (US) 2004-06-30 EP disclosed
WO-2003027074-A1 PYRAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders MKI67, CDK4, FLT4 NCEH1 3856/4885NLRP3 1134/4885LMNA 4637/4885

“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.