SCHEMBL21179833

SCHEMBL21179833

CCC(=O)NCc1cc(B(O)O)cnc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
P2RX7 Q99572 3/20 0.33
PIK3CD O00329 1/20 0.33
PTGES O14684 1/20 0.32
CYP11B2 P19099 1/20 0.32
MAPT P10636 1/20 0.32
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 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
SCHEMBL18522317 0.86 L3MBTL1 (0.40) RAB9AMAPT
SCHEMBL21179834 0.77 HTT (0.43) SMN1; SMN2NPC1HPGDMAPK1RAB9A
SCHEMBL16576632 0.70
SCHEMBL31739694 0.69 MASP2 (0.43) P2RX7CYP11B2MAPTF2PRSS1
SCHEMBL5006253 0.67 SETDB1 (0.49) CYP11B2MAPT
SCHEMBL3387105 0.66 SETDB1 (0.47) P2RX7
SCHEMBL18497248 0.66 L3MBTL1 (0.38) SMN1; SMN2CYP1A2
SCHEMBL29561964 0.65 CYP1A2 (0.38) HPGDMAPK1RAB9ACYP1A2CYP3A4
SCHEMBL19652463 0.65 CYP1A2 (0.38) HPGDMAPK1RAB9ACYP1A2CYP3A4
SCHEMBL18497250 0.65 SETDB1 (0.47) RAB9AMAPT

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 SMN1; SMN2 2558/4885NPC1 2337/4885HPGD 765/4885

“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.