SCHEMBL17917765

SCHEMBL17917765

CC(=O)NCC(F)(F)c1ncc(Br)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ PLAU P00749 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL18335092 0.84 STK17B (0.41) TSHR
SCHEMBL19189346 0.78 PLAU (0.32) ALDH1A1PLAUL3MBTL1
SCHEMBL16540850 0.78 LMNA (0.45) ALDH1A1L3MBTL1HPGDMAPK1SMN1; SMN2
SCHEMBL16552187 0.76 PLAU (0.40) ALDH1A1PLAU
SCHEMBL19195265 0.74 AGBL2 (0.37) TSHRCYP1A2CYP3A4L3MBTL1HPGD
SCHEMBL18335150 0.74 STK17B (0.41) TSHR
SCHEMBL16540711 0.73 PLAU (0.40) PLAUGBA1KMT2A
SCHEMBL29268175 0.71 PLAU (0.40) ALDH1A1PLAUMEN1KMT2ASMN1; SMN2
SCHEMBL16654525 0.71 PLAU (0.40) ALDH1A1PLAUMEN1KMT2ASMN1; SMN2
SCHEMBL29989503 0.71 PLAU (0.40) ALDH1A1PLAUMEN1KMT2ASMN1; SMN2

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-9868719-B2 Compounds with pesticidal activity BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-16 — — US disclosed
US-20160198708-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-07-14 — — 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-20160198708-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY ACHE, DDT, CAT ALDH1A1 929/4885PLAU 3485/4885TSHR 2235/4885

“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.

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