SCHEMBL17413591

SCHEMBL17413591

CSc1cccc(C(=O)Nc2nnnn2C)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
KMT2A Q03164 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 5/20 0.39
PKM P14618 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL17410539 0.87 POLB (0.56) POLBKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL28386472 0.86 POLB (0.65) POLBKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL17397904 0.80 POLB (0.53) POLBKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL17410737 0.79 POLB (0.58) POLBKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL17413598 0.78 POLB (0.51) POLBSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL17413590 0.78 POLB (0.51) POLBKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL20448251 0.78 POLB (0.46) POLBKMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL18779295 0.78 POLB (0.59) POLBKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL17395276 0.77 POLB (0.47) POLBKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL14909043 0.77 POLB (0.55) POLBKMT2ASMN1; SMN2NPC1RAB9A

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 2106/4885KMT2A 592/4885SMN1; SMN2 4359/4885

“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.