SCHEMBL17413640

SCHEMBL17413640

COSc1c(C2CC2)ccc(C(=O)Nc2nnnn2C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
CNR2 P34972 2/20 0.35
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
ALDH1A1 P00352 4/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAP3K5 Q99683 3/20 0.32
KMT2A Q03164 2/20 0.31
HTT P42858 2/20 0.31
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30

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
SCHEMBL17395276 0.89 POLB (0.47) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17413650 0.87 NPC1 (0.47) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17413639 0.87 POLB (0.43) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17410738 0.85 POLB (0.50) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17413595 0.84 PDK2 (0.31) KMT2AHTTGAA
SCHEMBL17410615 0.82 POLB (0.47) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17410943 0.81 POLB (0.46) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17410927 0.81 POLB (0.46) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17410603 0.80 POLB (0.46) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL17410605 0.80 POLB (0.46) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988347-B2 Herbicidally active arylcarboxylic acid amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-05 US disclosed
US-9988347-B2 Herbicidally active arylcarboxylic acid amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-05 US disclosed
EP-3160945-B1 HERBICIDAL ARYLCARBOXYLIC ACID AMIDES BAYER CROPSCIENCE AG (DE) 2018-01-31 EP disclosed
US-20170158629-A1 Herbicidally Active Arylcarboxylic Acid Amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-06-08 US disclosed
US-20170158629-A1 Herbicidally Active Arylcarboxylic Acid Amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-06-08 US disclosed
WO-2016001073-A1 HERBICIDALLY ACTIVE ARYLCARBOXYLIC ACID AMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (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-20170158629-A1 Herbicidally Active Arylcarboxylic Acid Amides DDT, AADAC, AOX1 POLB 2106/4885CYP1A2 49/4885CYP2C9 94/4885

“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.