SCHEMBL17413641

SCHEMBL17413641

CCn1nnnc1NC(=O)c1ccc(C2CC2)c(SC)c1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 2/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.34
POLB P06746 3/20 0.33
GAA P10253 1/20 0.33
GLA P06280 1/20 0.33
SOS1 Q07889 1/20 0.32

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
SCHEMBL17413650 0.89 NPC1 (0.47) HPGDCYP2C19CYP1A2CYP2C9NPC1
SCHEMBL17395276 0.86 POLB (0.47) HPGDCYP2C19CYP1A2CYP2C9NPC1
SCHEMBL17413644 0.85 HPGD (0.48) HPGDCYP2C19CYP1A2CYP2C9NPC1
SCHEMBL17413568 0.83 NPC1 (0.44) HPGDCYP2C19CYP1A2CYP2C9NPC1
SCHEMBL17232535 0.81 HPGD (0.45) HPGDCYP2C19CYP1A2CYP2C9NPC1
SCHEMBL15786300 0.80 HPGD (0.44) HPGDCYP2C19CYP1A2CYP2C9NPC1
SCHEMBL18932459 0.77 CYP1A2 (0.53) HPGDCYP2C19CYP1A2CYP2C9NPC1
SCHEMBL17413643 0.76 GRM5 (0.32) NPC1RAB9ASMN1; SMN2HTTGAA
SCHEMBL17413640 0.76 POLB (0.45) HPGDCYP2C19CYP1A2CYP2C9NPC1
SCHEMBL17413594 0.73 POLB (0.45) HPGDCYP2C19CYP1A2CYP2C9NPC1

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 HPGD 1492/4885CYP2C19 150/4885CYP1A2 49/4885

“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.