SCHEMBL951160

SCHEMBL951160

Clc1ncccc1-n1cccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 4/20 0.38
MPI P34949 1/20 0.36
DOT1L Q8TEK3 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL11569105 0.78 NOS3 (0.36) GAAPOLBKDM4ELMNASMN1; SMN2
SCHEMBL7128337 0.75 MAPT (0.47) GAAALDH1A1POLBHTR3EHTR3B
SCHEMBL2592089 0.74 ALDH1A1 (0.41) GAAALDH1A1POLBHTR3EHTR3B
SCHEMBL7475274 0.74 GAA (0.40) GAAALDH1A1POLBHTR3EHTR3B
SCHEMBL16302917 0.74 GAA (0.50) GAAALDH1A1POLBHTR3EHTR3B
SCHEMBL2592400 0.74 MAPK1 (0.49) GAAALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL22199027 0.74 CYP2E1 (0.50) DOT1L
SCHEMBL11585958 0.71 HTT (0.54) ALDH1A1POLBMEN1KMT2A
SCHEMBL31473785 0.71 GAA (0.51) GAAALDH1A1HTR1AHTR2CKDM4E
SCHEMBL27549878 0.71 GAA (0.55) GAAALDH1A1HTR2CKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150373978-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER IP GMBH (DE) 2015-12-31 US disclosed
US-9173396-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-20130261141-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 US disclosed
EP-2010525-B1 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2013-08-28 EP disclosed
EP-2630133-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES Bayer Intellectual Property GmbH (DE) 2013-08-28 EP disclosed
WO-2012052412-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-04-26 WO disclosed
US-7968573-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-28 US disclosed
US-7968573-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-28 US disclosed
US-7968573-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-28 US disclosed
EP-1937664-B1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2011-06-15 EP disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
WO-2007043677-A9 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2007-06-07 WO disclosed
WO-2007043677-A9 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2007-06-07 WO disclosed
WO-2007043677-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-19 WO disclosed
WO-2007043677-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-19 WO disclosed
CN-1059713-A Novel two (oximino chlorine) derivatives as agricultural fungicides DU PONT (US) 1992-03-25 CN disclosed
EP-0003277-B1 HETEROCYCLE SUBSTITUTED (3-LOWERALKYLAMINO-2-RO-PROPOXY)PYRIDINES, PROCESS FOR PREPARING THE SAME,AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME MERCK & CO. INC. (US) 1983-04-27 EP disclosed
EP-0003277-A1 Heterocycle substituted (3-loweralkylamino-2-RO-propoxy)pyridines, process for preparing the same,and pharmaceutical composition containing the same MERCK & CO. INC. (US) 1979-08-08 EP disclosed
US-4144343-A HYPOTENSIVE AGENTS MERCK & CO., INC. (US) 1979-03-13 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 (3 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-20130261141-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS GAA 2073/4885ALDH1A1 2666/4885POLB 4676/4885
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS GAA 505/4885ALDH1A1 1424/4885POLB 234/4885
US-20150373978-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS GAA 2073/4885ALDH1A1 2666/4885POLB 4676/4885

“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.