SCHEMBL3914958

SCHEMBL3914958

COC(=O)CNC(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.53
KDM4E B2RXH2 1/20 0.47
MAPT P10636 7/20 0.46
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 2/20 0.46
MMP13 P45452 1/20 0.45
PKM P14618 2/20 0.43
FFAR1 O14842 1/20 0.43
POLB P06746 1/20 0.43
PTGS2 P35354 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL3130752 0.86 GAA (0.53) GAAKDM4EMAPTALDH1A1RAB9A
SCHEMBL4440700 0.83 KDM4E (0.51) GAAKDM4EMAPTALDH1A1PKM
SCHEMBL3914044 0.81 THRA (0.50) GAAMAPTALDH1A1RAB9APKM
SCHEMBL8947150 0.80 GAA (0.67) GAAKDM4EMAPTALDH1A1RAB9A
SCHEMBL3913177 0.79 THRA (0.45) GAAMAPTALDH1A1RAB9APKM
SCHEMBL3911770 0.78 MEN1 (0.68) GAAKDM4EMAPTALDH1A1RAB9A
SCHEMBL5278322 0.77 CYP3A4 (0.44) GAAKDM4EMAPTALDH1A1PKM
SCHEMBL3909800 0.77 ALDH1A1 (0.39) GAAKDM4EMAPTALDH1A1RAB9A
SCHEMBL8947103 0.76 KMT2A (0.60) GAAMAPTPKMPOLBMEN1
SCHEMBL11280567 0.76 MEN1 (0.48) GAAKDM4EMAPTALDH1A1RAB9A

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-20090318514-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2009-12-24 US disclosed
EP-2024336-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2009-02-18 EP disclosed
WO-2007128492-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2007-11-15 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-20090318514-A1 Novel Pharmaceutical Compositions TSHR, TRHR, THRA GAA 3977/4885KDM4E 1775/4885MAPT 3554/4885

“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.