SCHEMBL536014

SCHEMBL536014

[CH2]COc1ccccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 2/20 0.49
MAPK1 P28482 1/20 0.47
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
MAOA P21397 1/20 0.45
HTR2B P41595 1/20 0.45
KDM4E B2RXH2 3/20 0.43
TP53 P04637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NOTUM Q6P988 1/20 0.41

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
SCHEMBL5316945 0.84 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GAAMAPK1HPGD
SCHEMBL7088474 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GAAMAPK1HPGD
SCHEMBL28020967 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAAMAPK1HPGD
SCHEMBL17603410 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAAMAPK1HPGD
SCHEMBL10499090 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2GAAMAPK1HPGD
SCHEMBL6832323 0.79 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2GAAMAPK1HPGD
SCHEMBL5451 0.79 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2GAAMAPK1HPGD
SCHEMBL30283197 0.79 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2GAAMAPK1HPGD
SCHEMBL10375523 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAAMAPK1HPGD
SCHEMBL361815 0.79 TSHR (0.47) ALDH1A1SMN1; SMN2GAAMAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247431-B2 Heterocyclic hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
EP-2144898-B1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2012-02-08 EP disclosed
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
EP-2144898-A2 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME Sumitomo Chemical Company, Limited (JP) 2010-01-20 EP disclosed
EP-2061789-A2 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2009-05-27 EP disclosed
US-7501530-B2 Trifluoromethyl-thiophene carboxylic acid aniledes and use thereof as fungicides BASF AKTIENGESELLSCHAFT (DE) 2009-03-10 US disclosed
WO-2008130021-A2 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-30 WO disclosed
WO-2008032858-A2 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-20 WO disclosed
US-20060172891-A1 Trifluoromethyl-thiophene carboxylic acid aniledes and use thereof as fungicides BASF AKTIENGESELLSCHAFT (DE) 2006-08-03 US disclosed
CN-1166829-A Iminooxymethylene anilides, process and intermediate products for preparing the same and pesticides containing the same BASF AG (DE) 1997-12-03 CN disclosed
CN-1161687-A Phenylacetic acid alkyl esters BASF AG (DE) 1997-10-08 CN disclosed
WO-1997033874-A1 PYRIMIDYL PHENYL AND BENZYL ETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1997-09-18 WO disclosed
WO-1997030032-A1 PYRIDYL-PHENYL- AND BENZYLETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES AND FOR CONTROLLING ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 1997-08-21 WO disclosed
EP-0779887-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed
CN-1152908-A Phenyl acetic acid derivatives, process and intermediate products for their production and agents containing them BASF AG (DE) 1997-06-25 CN disclosed
CN-1143361-A Phenylacetic acid derivatives, their preparation and intermediates, and compositions containing them BASF AG (DE) 1997-02-19 CN disclosed
WO-1997003070-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-30 WO disclosed
EP-0078462-B1 1,2,4,6-THIATRIAZINE-1,1 DIOXIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTI-GROWTH AGENTS FOR UNWANTED PLANTS BASF Aktiengesellschaft (DE) 1986-01-15 EP disclosed
EP-0078462-A1 1,2,4,6-Thiatriazine-1,1 dioxides, process for their preparation and their use as anti-growth agents for unwanted plants BASF Aktiengesellschaft (DE) 1983-05-11 EP 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-20060172891-A1 Trifluoromethyl-thiophene carboxylic acid aniledes and use thereof as fungicides AS3MT, GABBR1, TH ALDH1A1 257/4885SMN1; SMN2 4479/4885GAA 646/4885
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 ALDH1A1 1468/4885SMN1; SMN2 3564/4885GAA 4884/4885
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, CAT, DNPH1 ALDH1A1 719/4885SMN1; SMN2 2564/4885GAA 2173/4885

“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.