SCHEMBL952111

SCHEMBL952111

O=[N+]([O-])c1ccc(Cl)nc1N1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 8/20 0.52
ALDH1A1 P00352 5/20 0.52
MAPK1 P28482 3/20 0.52
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
ADRB1 P08588 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
HTR6 P50406 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL101570 0.86 ALDH1A1 (0.69) POLBTDP1L3MBTL1MAPTALDH1A1
SCHEMBL6284789 0.82 MAPT (0.52) POLBTDP1MAPTALDH1A1MAPK1
SCHEMBL9564464 0.82 POLB (0.58) POLBTDP1L3MBTL1MAPTALDH1A1
SCHEMBL3239219 0.82 CYP1A2 (0.59) POLBTDP1L3MBTL1MAPTALDH1A1
SCHEMBL30434695 0.82 POLB (0.58) POLBTDP1L3MBTL1MAPTALDH1A1
SCHEMBL22120606 0.81 POLB (0.56) POLBTDP1L3MBTL1MAPTALDH1A1
SCHEMBL3538908 0.80 TDP1 (0.59) POLBTDP1L3MBTL1MAPTALDH1A1
SCHEMBL29074136 0.80 POLB (0.55) POLBTDP1L3MBTL1MAPTALDH1A1
SCHEMBL9437331 0.79 L3MBTL1 (0.64) POLBTDP1L3MBTL1MAPTALDH1A1
SCHEMBL11011738 0.78 POLB (0.60) POLBTDP1L3MBTL1MAPTALDH1A1

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 8 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
CN-1976586-A Piperazine derivatives and their use for controlling pests SYNGENTA PARTICIPATIONS AG (CH) 2007-06-06 CN disclosed
EP-1755396-A1 PIPERAZIN DERIVATIVES AND THEIR USE IN CONTROLLING PESTS Syngeta Participations AG (CH) 2007-02-28 EP disclosed
WO-2005115146-A1 PIPERAZIN DERIVATIVES AND THEIR USE IN CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2005-12-08 WO 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 POLB 3844/4885TDP1 3981/4885L3MBTL1 950/4885
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 POLB 3633/4885TDP1 3526/4885L3MBTL1 639/4885

“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.