SCHEMBL6601735

SCHEMBL6601735

CCCOc1cc(-c2ccccc2)nn1CCOc1ccc(-c2ccco2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
GCGR P47871 1/20 0.38
GIPR P48546 1/20 0.38
NLRP3 Q96P20 1/20 0.38
LCLAT1 Q6UWP7 3/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
S1PR4 O95977 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL6603644 0.94 HPGD (0.38) HPGDKDM4ENPC1ALDH1A1TP53
SCHEMBL6603641 0.86 KDM4E (0.38) HPGDKDM4ENPC1ALDH1A1TP53
SCHEMBL6602464 0.82 KDM4E (0.40) HPGDLCLAT1KDM4ENPC1ALDH1A1
SCHEMBL6602280 0.81 PDE5A (0.42) HPGDGCGRGIPRNLRP3KDM4E
SCHEMBL6606052 0.81 HPGD (0.39) HPGDGCGRGIPRNLRP3S1PR4
SCHEMBL6602658 0.81 HPGD (0.42) HPGDGCGRGIPRNLRP3NPC1
SCHEMBL6613384 0.81 CYP3A4 (0.36) HPGDGCGRGIPRNPC1TP53
SCHEMBL6603253 0.80 KDM4E (0.41) HPGDKDM4EALDH1A1MAPTTSHR
SCHEMBL6805998 0.79 HPGD (0.41) HPGDGCGRGIPRNLRP3NPC1
SCHEMBL6600767 0.77 HPGD (0.37) HPGDLCLAT1KDM4EALDH1A1MAPT

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 HPGD 76/4885GCGR 2460/4885GIPR 1805/4885

“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.