SCHEMBL17142155

SCHEMBL17142155

CC(=O)c1cccc(C(=O)N(C)C2CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PDK2 Q15119 1/20 0.46
SMYD3 Q9H7B4 1/20 0.46
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ROCK2 O75116 1/20 0.44
ACACB O00763 1/20 0.44
DPP4 P27487 1/20 0.42
KCNH2 Q12809 1/20 0.42
DPP8 Q6V1X1 1/20 0.42

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
SCHEMBL9001768 0.85 POLB (0.62) ALDH1A1HTTKDM4EHPGDTSHR
SCHEMBL22425347 0.83 POLB (0.56) ALDH1A1HTTKDM4EHPGDTSHR
SCHEMBL18176001 0.82 MEN1 (0.48) ALDH1A1HTTKDM4EHPGDTSHR
SCHEMBL3840449 0.80 CCR3 (0.51) ALDH1A1HPGDTSHRSMN1; SMN2PDK2
SCHEMBL9001749 0.80 CCR3 (0.51) ALDH1A1HPGDTSHRSMN1; SMN2PDK2
SCHEMBL12852597 0.80 ALDH1A1 (0.47) ALDH1A1HTTKDM4EHPGDTSHR
SCHEMBL1691998 0.80 SMYD3 (0.49) ALDH1A1HTTKDM4EHPGDTSHR
SCHEMBL23951419 0.78 CHRM2 (0.51) ALDH1A1MEN1KMT2ALMNA
SCHEMBL20888443 0.78 ALDH1A1 (0.44) ALDH1A1HTTKDM4EHPGDTSHR
SCHEMBL12640103 0.78 MEN1 (0.49) ALDH1A1HTTHPGDSMN1; SMN2NPC1

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-20170137413-A1 NOVEL HALOGEN-SUBSTITUTED COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-18 US disclosed
EP-3126353-A1 NOVEL 3-[(PYRAZOL-5-YL)-HETEROARYL]-BENZAMIDE DERIVATIVES AND USE THEREOF AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2017-02-08 EP disclosed
WO-2015150442-A1 NOVEL 3-[(PYRAZOL-5-YL)-HETEROARYL]-BENZAMIDE DERIVATIVES AND USE THEREOF AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2015-10-08 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-20170137413-A1 NOVEL HALOGEN-SUBSTITUTED COMPOUNDS CYP4F3, PYM1, PRDX4 ALDH1A1 748/4885HTT 814/4885KDM4E 1824/4885

“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.