SCHEMBL6803407

SCHEMBL6803407

CCOc1cc(-c2ccc(C(=O)O)cc2)nn1CCOc1ccc(-c2ccc(F)c(Cl)c2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
MDM2 Q00987 2/20 0.44
GCGR P47871 2/20 0.43
GIPR P48546 2/20 0.43
MRGPRX4 Q96LA9 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMO O15229 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.38
TTR P02766 1/20 0.38

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
SCHEMBL6607403 0.91 NLRP3 (0.43) TP53GCGRGIPRALDH1A1MAPT
SCHEMBL6805285 0.90 TP53 (0.49) TP53MDM2GCGRGIPRALDH1A1
SCHEMBL6809196 0.89 TP53 (0.46) TP53MDM2GCGRGIPRALDH1A1
SCHEMBL6805484 0.89 TP53 (0.45) TP53MDM2GCGRGIPR
SCHEMBL6804559 0.88 TP53 (0.43) TP53MDM2GCGRGIPRMRGPRX4
SCHEMBL6606062 0.88 TP53 (0.46) TP53MDM2GCGRGIPRMRGPRX4
SCHEMBL6606542 0.88 TP53 (0.47) TP53MDM2GCGRGIPRALDH1A1
SCHEMBL6803960 0.88 TP53 (0.43) TP53MDM2GCGRGIPRALDH1A1
SCHEMBL6603996 0.87 TP53 (0.44) TP53MDM2GCGRGIPRALDH1A1
SCHEMBL6602139 0.87 TP53 (0.47) TP53MDM2GCGRGIPRMRGPRX4

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 1 patent. 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

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 TP53 35/4885MDM2 1509/4885GCGR 2460/4885

“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.