Sugi Predict

Sugi Predict / Compounds / SCHEMBL952494

SCHEMBL952494

SCHEMBL952494

O=C(Nc1cccnc1N1CCN(CC=Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.42
▸ CXCR3 P49682 1/20 0.40
▸ MCHR1 Q99705 2/20 0.40
▸ GPR6 P46095 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ABL1 P00519 5/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ SCN2A Q99250 1/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ LMNA P02545 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
SCHEMBL952493 1.00 KMT2A (0.42) KMT2ACXCR3MCHR1GPR6ALDH1A1
SCHEMBL954024 0.91 GPR6 (0.44) KMT2ACXCR3MCHR1GPR6ABL1
SCHEMBL954022 0.91 GPR6 (0.44) KMT2ACXCR3MCHR1GPR6ABL1
SCHEMBL955162 0.91 KMT2A (0.43) KMT2AGPR6ALDH1A1POLBNPSR1
SCHEMBL955164 0.91 KMT2A (0.43) KMT2AGPR6ALDH1A1POLBNPSR1
SCHEMBL953670 0.89 CXCR3 (0.46) KMT2ACXCR3MCHR1GPR6ALDH1A1
SCHEMBL953672 0.89 CXCR3 (0.46) KMT2ACXCR3MCHR1GPR6ALDH1A1
SCHEMBL954091 0.89 MCHR1 (0.40) KMT2AMCHR1GPR6SMN1; SMN2ABL1
SCHEMBL954094 0.89 MCHR1 (0.40) KMT2AMCHR1GPR6SMN1; SMN2ABL1
SCHEMBL955582 0.87 SRPK1 (0.40) KMT2AMCHR1GPR6SMN1; SMN2LMNA

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 KMT2A 1508/4885CXCR3 3853/4885MCHR1 408/4885
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 KMT2A 842/4885CXCR3 3203/4885MCHR1 457/4885

“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.