SCHEMBL21179834

SCHEMBL21179834

CCC(=O)NCc1cc(B(O)O)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
CYP3A4 P08684 2/20 0.42
P2RX7 Q99572 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.37
HSD17B2 P37059 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL21179848 0.85 L3MBTL1 (0.42) HTTCYP3A4P2RX7CYP1A2CYP2C9
SCHEMBL29337714 0.80 HTT (0.47) HTTCYP3A4P2RX7CYP1A2CYP2D6
SCHEMBL29953894 0.79 LPL (0.47) ALDH1A1L3MBTL1
SCHEMBL2413286 0.79 LPL (0.47) ALDH1A1L3MBTL1
SCHEMBL754563 0.78 CYP3A4 (0.46) HTTCYP3A4P2RX7CYP1A2CYP2D6
SCHEMBL21179833 0.77 SMN1; SMN2 (0.33) HTTCYP3A4P2RX7CYP1A2CYP2D6
SCHEMBL2910835 0.74 HTT (0.71) HTTCYP3A4P2RX7CYP2D6CYP2C19
SCHEMBL30259918 0.74 HTT (0.71) HTTCYP3A4P2RX7CYP2D6CYP2C19
SCHEMBL1750408 0.73 TSHR (0.50) HTTCYP3A4P2RX7ALDH1A1MEN1
SCHEMBL17914676 0.72 ALDH1A1 (0.62) P2RX7NPC1ALDH1A1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10357036-B2 Compounds for controlling arthropods BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-23 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-10357036-B2 Compounds for controlling arthropods DDT, ACHE, NISCH HTT 175/4885CYP3A4 319/4885P2RX7 2396/4885

“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.