SCHEMBL2180805

SCHEMBL2180805

[CH2]N(C(=O)CCC)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
HTT P42858 2/20 0.41
ESR1 P03372 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
BCL2A1 Q16548 1/20 0.37
F2R P25116 1/20 0.37
HPGD P15428 1/20 0.36
OPRM1 P35372 1/20 0.36
CASP1 P29466 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL14229099 0.76 TP53 (0.51) TP53HTTESR1HPGDALDH1A1
SCHEMBL622138 0.75 TP53 (0.62) TP53HTTSMN1; SMN2HPGDALDH1A1
Methane SCHEMBL7619527 0.74 HTT (0.40) TP53HTTESR1SMN1; SMN2
SCHEMBL7995828 0.73 CES2 (0.39) BCL2A1ALDH1A1
SCHEMBL9524378 0.68 TP53 (0.41) TP53HTTESR1SMN1; SMN2F2R
SCHEMBL3370588 0.68 HTT (0.44) HTTESR1HPGD
SCHEMBL10566045 0.68 TP53 (0.49) TP53HTTHPGDALDH1A1
SCHEMBL27903588 0.68 ALDH1A1 (0.49) TP53OPRM1ALDH1A1
SCHEMBL11538601 0.68 ESR1 (0.48) TP53HTTESR1SMN1; SMN2BCL2A1
1,2-Dichlorobenzene SCHEMBL27977202 0.67 TSHR (0.58) TP53HTTSMN1; SMN2F2RHPGD

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-20140162906-A1 Pesticide Biomarker NAGY JON OWEN (US) 2014-06-12 US disclosed
US-20110166043-A1 BIOMARKER DETECTION-2 ATERIS TECHNOLOGIES, LLC 2011-07-07 US disclosed
US-20100041077-A1 PESTICIDE BIOMARKER ATERIS TECHNOLOGIES, LLC 2010-02-18 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-20110166043-A1 BIOMARKER DETECTION-2 CPB2, NAALAD2, PRSS2 TP53 1225/4885HTT 4537/4885ESR1 3138/4885

“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.