SCHEMBL17410944

SCHEMBL17410944

CCc1ccc(C(=O)Nc2nnnn2C)c(C)c1S(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.39
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.31

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
SCHEMBL17410739 0.89 POLB (0.51) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17410531 0.87 POLB (0.53) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL15786289 0.86 POLB (0.52) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17410942 0.85 POLB (0.60) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17410748 0.85 POLB (0.51) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17410543 0.84 POLB (0.50) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17413582 0.84 POLB (0.50) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL24781100 0.83 POLB (0.45) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17410537 0.83 POLB (0.49) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17410602 0.83 POLB (0.49) POLBCYP1A2CYP2C9HPGDCYP2C19

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017025396-A1 HERBICIDAL COMPOSITIONS COMPRISING N-(TETRAZOLE-5-YL)- OR N-(1,3,4- OXADIAZOLE-2-YL)ARYL AMIDES AND AN 3-ISOXAZOLIDINONE DERIVATIVE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-16 WO claimed
EP-3160947-B1 HERBICIDAL N-(1-METHYLTETRAZOL-5-YL) BENZOIC ACID AMIDES BAYER CROPSCIENCE AG (DE) 2018-07-18 EP disclosed
US-9815802-B2 Herbicidally active N-(1-methyltetrazol-5-yl)benzoic acid amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-14 US disclosed
US-20170114031-A1 Difluoromethyl-nicotinic-indanyl carboxamides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-04-27 US disclosed
WO-2017025396-A1 HERBICIDAL COMPOSITIONS COMPRISING N-(TETRAZOLE-5-YL)- OR N-(1,3,4- OXADIAZOLE-2-YL)ARYL AMIDES AND AN 3-ISOXAZOLIDINONE DERIVATIVE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-16 WO disclosed
WO-2017025396-A1 HERBICIDAL COMPOSITIONS COMPRISING N-(TETRAZOLE-5-YL)- OR N-(1,3,4- OXADIAZOLE-2-YL)ARYL AMIDES AND AN 3-ISOXAZOLIDINONE DERIVATIVE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-16 WO disclosed
WO-2016001075-A1 HERBICIDALLY ACTIVE N-(1-METHYLTETRAZOL-5-YL)BENZOIC ACID AMIDES BAYER CROPSCIENCE AG (DE) 2016-01-07 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 (1 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-20170114031-A1 Difluoromethyl-nicotinic-indanyl carboxamides AADAC, NAT1, NQO2 POLB 1923/4885CYP1A2 496/4885CYP2C9 1442/4885

“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.