SCHEMBL4470196

SCHEMBL4470196

CCN(CC)Cc1ccc(NC(=O)c2[nH]c3ccc(OCc4ccc(Cl)nc4)cc3c2OC(=O)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CDK2 P24941 2/20 0.38
FLT3 P36888 2/20 0.38
CCNA1 P78396 2/20 0.38
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34

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
SCHEMBL4466688 0.85 KDM4E (0.37) ALDH1A1MAPTSMN1; SMN2KDM4EGAA
SCHEMBL4473787 0.81 SMN1; SMN2 (0.45) ALDH1A1MAPTSMN1; SMN2KDM4EGAA
Trifluoroacetic Acid SCHEMBL4470187 0.80 KDM4E (0.46) ALDH1A1MAPTKDM4EGAAFLT3
SCHEMBL4461647 0.79 SMN1; SMN2 (0.43) ALDH1A1MAPTSMN1; SMN2KDM4EGAA
SCHEMBL4482193 0.78 MAPT (0.43) ALDH1A1MAPTSMN1; SMN2KDM4EGAA
SCHEMBL13864592 0.78 NPC1 (0.48) ALDH1A1MAPTKDM4EGAAFLT3
SCHEMBL4475209 0.76 KDM4E (0.41) ALDH1A1MAPTSMN1; SMN2KDM4EGAA
SCHEMBL4466681 0.74 SMN1; SMN2 (0.49) ALDH1A1MAPTSMN1; SMN2KDM4EMAPK1
SCHEMBL4474709 0.74 SMN1; SMN2 (0.51) ALDH1A1MAPTSMN1; SMN2KDM4EGAA
SCHEMBL4482778 0.73 MAPT (0.43) ALDH1A1MAPTSMN1; SMN2KDM4EGAA

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-7531668-B2 2-arylcarboxamide-nitrogenous heterocycle compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-05-12 US disclosed
US-20070299070-A1 2-Arylcarboxamide-Nitrogenous Heterocycle Compound MSD K.K. (JP) 2007-12-27 US disclosed
EP-1798221-A1 2-ARYLCARBOXAMIDE-NITROGENEOUS HETEROCYCLE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-20 EP 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-20070299070-A1 2-Arylcarboxamide-Nitrogenous Heterocycle Compound MCHR2, MCHR1, NPY2R ALDH1A1 1060/4885MAPT 4323/4885SMN1; SMN2 4352/4885

“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.