SCHEMBL461848

SCHEMBL461848

O=C(Cl)c1ccc(-n2cncn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
RAB9A P51151 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
S1PR3 Q99500 5/20 0.46
S1PR1 P21453 4/20 0.46
DPP4 P27487 2/20 0.46
SMYD3 Q9H7B4 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
FBP1 P09467 1/20 0.45
NPC1 O15118 1/20 0.45
ROCK1 Q13464 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL28755979 0.85 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EALDH1A1RAB9ARXFP1
SCHEMBL327641 0.84 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EALDH1A1RAB9ARXFP1
SCHEMBL3358083 0.82 KCNJ1 (0.57) SMN1; SMN2KDM4EALDH1A1RAB9ARXFP1
SCHEMBL2905639 0.82 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1RAB9ARXFP1
SCHEMBL27967177 0.81 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EALDH1A1RAB9ARXFP1
SCHEMBL27905069 0.80 SMN1; SMN2 (0.72) SMN1; SMN2KDM4EALDH1A1RAB9ARXFP1
SCHEMBL7443020 0.79 ADH5 (0.54) SMN1; SMN2KDM4EALDH1A1RAB9ARXFP1
SCHEMBL4459474 0.79 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALDH1A1RAB9ARXFP1
SCHEMBL12664197 0.78 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1RAB9ARXFP1
SCHEMBL6326876 0.78 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1RAB9ARXFP1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3153497-A2 PESTICIDAL CARBOXAMIDES Bayer Cropscience AG (DE) 2017-04-12 EP disclosed
EP-3153497-A2 PESTICIDAL CARBOXAMIDES Bayer Cropscience AG (DE) 2017-04-12 EP disclosed
US-9227923-B2 Pesticidal carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
US-9227923-B2 Pesticidal carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
US-9227923-B2 Pesticidal carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
CN-103201268-B As the novel piperazine analogue of wide spectrum influenza virus medicine BRISTOL-MYERS SQUIBB CO. (US) 2015-08-12 CN disclosed
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
EP-2614052-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
CN-103201268-A Novel piperazine analogs as broad-spectrum influenza antivirals BRISTOL MYERS SQUIBB CO 2013-07-10 CN disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
CN-102574777-A Insecticidal carboxamides BAYER CROPSCIENCE AG 2012-07-11 CN disclosed
EP-2464624-A2 PESTICIDAL CARBOXAMIDES Bayer CropScience AG (DE) 2012-06-20 EP disclosed
US-20120149910-A1 Pesticidal Carboxamides BAYER CROPSCIENCE AG (DE) 2012-06-14 US disclosed
US-20120149910-A1 Pesticidal Carboxamides BAYER CROPSCIENCE AG (DE) 2012-06-14 US disclosed
US-20120149910-A1 Pesticidal Carboxamides BAYER CROPSCIENCE AG (DE) 2012-06-14 US disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
WO-2011018170-A2 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2011-02-17 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-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, HCRTR1 SMN1; SMN2 4496/4885KDM4E 3183/4885ALDH1A1 728/4885
US-20120149910-A1 Pesticidal Carboxamides DDT, ACHE, AADAC SMN1; SMN2 2554/4885KDM4E 178/4885ALDH1A1 1360/4885

“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.