SCHEMBL17413601

SCHEMBL17413601

CSc1c(C=O)ccc(C(=O)Nc2nnnn2C)c1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
KCNJ1 P48048 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 4/20 0.31
MAPT P10636 2/20 0.31
MMEL1 Q495T6 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL17410927 0.88 POLB (0.46) POLBCYP1A2CYP2C19CYP2C9HPGD
SCHEMBL17397904 0.86 POLB (0.53) POLBCYP1A2CYP2C19CYP2C9HPGD
SCHEMBL17413590 0.84 POLB (0.51) POLBCYP1A2CYP2C19CYP2C9HPGD
SCHEMBL17413598 0.84 POLB (0.51) POLBCYP1A2CYP2C19CYP2C9HPGD
SCHEMBL17413582 0.83 POLB (0.50) POLBCYP1A2CYP2C19CYP2C9HPGD
SCHEMBL17413593 0.82 POLB (0.49) POLBCYP1A2CYP2C19CYP2C9HPGD
SCHEMBL17413651 0.82 GAA (0.31) SMN1; SMN2GAANPC1RAB9AHTT
SCHEMBL15786298 0.81 POLB (0.48) POLBCYP1A2CYP2C19CYP2C9HPGD
SCHEMBL17232523 0.81 POLB (0.48) POLBCYP1A2CYP2C19CYP2C9HPGD
SCHEMBL17395276 0.80 POLB (0.47) POLBCYP1A2CYP2C19CYP2C9HPGD

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 49/4885CYP2C19 150/4885

“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.