SCHEMBL5142345

SCHEMBL5142345

O=C(Nc1cccc(C(F)(F)F)c1)C(=Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccnc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
ERBB2 P04626 1/20 0.44
TRPV1 Q8NER1 4/20 0.44
IDH1 O75874 1/20 0.43
CCR2 P41597 1/20 0.43
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
GPR142 Q7Z601 1/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
RXFP2 Q8WXD0 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40

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
SCHEMBL5142343 1.00 MAPT (0.50) MAPTLMNATP53POLBERBB2
SCHEMBL5144522 0.90 MAPT (0.54) MAPTLMNATP53POLBERBB2
SCHEMBL5141419 0.87 KMT2A (0.50) MAPTLMNATP53ERBB2TRPV1
SCHEMBL5141422 0.87 KMT2A (0.50) MAPTLMNATP53ERBB2TRPV1
SCHEMBL5142605 0.85 ERBB2 (0.48) MAPTLMNATP53ERBB2ALDH1A1
SCHEMBL5142608 0.85 ERBB2 (0.48) MAPTLMNATP53ERBB2ALDH1A1
SCHEMBL5144533 0.84 KMT2A (0.49) MAPTLMNATP53ERBB2TRPV1
SCHEMBL5144534 0.84 KMT2A (0.49) MAPTLMNATP53ERBB2TRPV1
SCHEMBL5142699 0.83 KCNQ3 (0.48) MAPTLMNATP53ERBB2TRPV1
SCHEMBL5142697 0.83 KCNQ3 (0.48) MAPTLMNATP53ERBB2TRPV1

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 MAPT 4733/4885LMNA 458/4885TP53 102/4885

“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.