SCHEMBL5141402

SCHEMBL5141402

CC(C)c1ccc(C(C(C(=O)Nc2cccc(C(F)(F)F)c2)C(=O)Nc2cccc(C(F)(F)F)c2)N2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
TRPV4 Q9HBA0 2/20 0.49
LMNA P02545 3/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CASR P41180 1/20 0.46
THRB P10828 1/20 0.46
EPHX2 P34913 1/20 0.45
TP53 P04637 1/20 0.45
AVPR1A P37288 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL967263 0.77 LMNA (0.52) ALDH1A1MAPTGAATRPV4LMNA
SCHEMBL5142376 0.76 SMN1; SMN2 (0.47) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL19745233 0.72 RAB9A (0.64) MAPTGAALMNAKMT2ASMN1; SMN2
SCHEMBL5145898 0.72 SMN1; SMN2 (0.56) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL5141401 0.72 RAB9A (0.50) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL3459439 0.71 KMT2A (0.51) ALDH1A1MAPTGAATRPV4LMNA
SCHEMBL12251335 0.71 SMN1; SMN2 (0.60) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL5561958 0.71 SMN1; SMN2 (0.63) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL31093984 0.71 SMN1; SMN2 (0.63) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL967264 0.70 GAA (0.52) MAPTGAATRPV4LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043076-A1 Substituted 2-arylmethylene-n-aryl-n'aryl-malonamides and analogs as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2007-02-22 US claimed
WO-2005037196-A2 SUBSTITUTED 2-ARYLMETHYLENE-N-ARYL-N'-ARYL-MALONAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2005-04-28 WO claimed
US-20070043076-A1 Substituted 2-arylmethylene-n-aryl-n'aryl-malonamides and analogs as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2007-02-22 US disclosed
WO-2005037196-A2 SUBSTITUTED 2-ARYLMETHYLENE-N-ARYL-N'-ARYL-MALONAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2005-04-28 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-20070043076-A1 Substituted 2-arylmethylene-n-aryl-n'aryl-malonamides and analogs as activators of caspases and inducers of apoptosis CASP14, CASP2, CASP3 ALDH1A1 952/4885TSHR 3821/4885MAPT 4733/4885

“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.