Sugi Predict

Sugi Predict / Compounds / SCHEMBL954200

SCHEMBL954200

SCHEMBL954200

O=C1CN(CC=Cc2ccc(Cl)cc2)CCN1c1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ EBP Q15125 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ P2RX7 Q99572 2/20 0.35

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
SCHEMBL954198 1.00 LMNA (0.37) LMNAMAPTHTTSMN1; SMN2KMT2A
SCHEMBL952457 0.85 LMNA (0.48) LMNAMAPTHTTSMN1; SMN2KMT2A
SCHEMBL953552 0.85 EBP (0.39) LMNAKMT2AEBPSIGMAR1NPC1
SCHEMBL953554 0.85 EBP (0.39) LMNAKMT2AEBPSIGMAR1NPC1
SCHEMBL952455 0.85 LMNA (0.48) LMNAMAPTHTTSMN1; SMN2KMT2A
SCHEMBL953556 0.73 HDAC1 (0.40) LMNAMAPTHTTSMN1; SMN2EBP
SCHEMBL953555 0.73 HDAC1 (0.40) LMNAMAPTHTTSMN1; SMN2EBP
SCHEMBL18329400 0.71 ACHE (0.44) MAPTL3MBTL1POLBSIGMAR1FAAH
SCHEMBL951475 0.71 SIGMAR1 (0.42) LMNAMAPTHTTSMN1; SMN2KMT2A
SCHEMBL951476 0.71 SIGMAR1 (0.42) LMNAMAPTHTTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796274-B2 Piperazine derivatives and their use in controlling pests SYNGENTA CROP PROTECTION LLC (US) 2014-08-05 — — US disclosed
EP-1755396-B1 PIPERAZIN DERIVATIVES AND THEIR USE IN CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-06-18 — — EP disclosed
US-20110003991-A1 PIPERAZINE DERIVATIVES AND THEIR USE IN CONTROLLING PESTS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-06 — — US disclosed
US-7807679-B2 2-chloro-N-(4-chloro-2-{4-[(E)-3-(4-chloro-phenyl)-allyl]-piperazin-1-yl}-phenyl)-isonicotinamide; for insects, acarines, nematodes and molluscs SYNGENTA CROP PROTECTION, INC. (US) 2010-10-05 — — US disclosed
US-20080076777-A1 2-chloro-N-(4-chloro-2-{4-[(E)-3-(4-chloro-phenyl)-allyl]-piperazin-1-yl}-phenyl)-isonicotinamide; for insects, acarines, nematodes and molluscs SYNGENTA CROP PROTECTION, INC. (US) 2008-03-27 — — 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 (2 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-20110003991-A1 PIPERAZINE DERIVATIVES AND THEIR USE IN CONTROLLING PESTS CHRM1, CHRM5, PRMT5 LMNA 3167/4885MAPT 4018/4885HTT 3840/4885
US-20080076777-A1 2-chloro-N-(4-chloro-2-{4-[(E)-3-(4-chloro-phenyl)-allyl]-piperazin-1-yl}-phenyl)-isonicotinamide; for insects, acarines, nematodes and molluscs CHRM1, CHRM2, CHRM5 LMNA 3570/4885MAPT 2047/4885HTT 1333/4885

“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.