SCHEMBL6808403

SCHEMBL6808403

Cc1nc(-c2cccc(NC(=O)Cc3cc([O])ccc3-c3ccccc3S(C)(=O)=O)c2)no1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.45
MAPT P10636 6/20 0.44
POLB P06746 2/20 0.44
RAB9A P51151 2/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
HAVCR2 Q8TDQ0 5/20 0.42
LMNA P02545 3/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
P2RY14 Q15391 1/20 0.40
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL6804790 0.79 KMT2A (0.46) POLBKMT2AHTT
SCHEMBL6808404 0.79 HAVCR2 (0.60) TP53MAPTRAB9AKMT2AMAPK1
SCHEMBL6805030 0.78 F2 (0.44)
SCHEMBL6801209 0.77 CFD (0.47) MAPTKMT2ALMNAGAA
SCHEMBL6808033 0.77 LMNA (0.52) MAPTPOLBKMT2AMAPK1HTT
SCHEMBL6807931 0.72 F10 (0.49) TP53MAPTPOLBRAB9AKMT2A
SCHEMBL6808849 0.69 BAZ2B (0.42)
SCHEMBL13273862 0.69 MAPT (0.63) TP53MAPTPOLBRAB9AMAPK1
SCHEMBL7061973 0.68 F10 (0.39) TP53MAPTPOLBRAB9AKMT2A
SCHEMBL7098774 0.68 PDE4A (0.46) TP53MAPTPOLBRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092517-A1 Phenyl derivatives and their use in the treatment of thromboembolic disorders or tumours MERCK PATENT GMBH (DE) 2004-05-13 US claimed
US-20040092517-A1 Phenyl derivatives and their use in the treatment of thromboembolic disorders or tumours MERCK PATENT GMBH (DE) 2004-05-13 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-20040092517-A1 Phenyl derivatives and their use in the treatment of thromboembolic disorders or tumours RCOR3, F2, NCOR2 TP53 1748/4885MAPT 4839/4885POLB 3408/4885

“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.