SCHEMBL3604448

SCHEMBL3604448

Nc1ccccc1NC(=O)Cc1csc(N(C(=O)O)C(F)c2cc(F)c(F)c(F)c2F)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 3/20 0.36
HDAC3 O15379 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
PDE5A O76074 3/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
MEN1 O00255 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
NCOR2 Q9Y618 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
SCHEMBL3604443 0.78 MEN1 (0.41) KDM4ESMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL3618272 0.78 HDAC6 (0.35) KDM4EHDAC3LMNAHPGDPDE5A
SCHEMBL3604249 0.77 MEN1 (0.44) SMN1; SMN2ALDH1A1MAPTLMNAMEN1
SCHEMBL3602430 0.77 HDAC6 (0.38) HDAC3PDE5APDE1APDE1BPDE1C
SCHEMBL3604446 0.74 MAPT (0.39) KDM4ESMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL3607234 0.72 HDAC3 (0.45) KDM4ESMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL3608603 0.70 HDAC3 (0.42) KDM4ESMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL3609508 0.69 GSTO1 (0.47) ALDH1A1MAPTGAAHDAC3LMNA
SCHEMBL3597144 0.69 SMN1; SMN2 (0.57) KDM4ESMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL3607165 0.68 PKM (0.42) KDM4ESMN1; SMN2ALDH1A1MAPTGAA

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-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US claimed
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 KDM4E 3755/4885SMN1; SMN2 3278/4885ALDH1A1 370/4885

“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.