SCHEMBL17413644

SCHEMBL17413644

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 3/20 0.37
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL17413642 0.88 NPC1 (0.49) HPGDCYP1A2CYP2C9CYP2C19NPC1
SCHEMBL17849119 0.87 NPC1 (0.53) HPGDCYP1A2CYP2C9CYP2C19NPC1
SCHEMBL17232535 0.87 HPGD (0.45) HPGDCYP1A2CYP2C9CYP2C19NPC1
SCHEMBL18932459 0.87 CYP1A2 (0.53) HPGDCYP1A2CYP2C9CYP2C19NPC1
SCHEMBL15786300 0.86 HPGD (0.44) HPGDCYP1A2CYP2C9CYP2C19NPC1
SCHEMBL17413641 0.85 HPGD (0.46) HPGDCYP1A2CYP2C9CYP2C19NPC1
SCHEMBL17397904 0.84 POLB (0.53) HPGDCYP1A2CYP2C9CYP2C19NPC1
SCHEMBL17413567 0.81 CYP1A2 (0.47) HPGDCYP1A2CYP2C9CYP2C19NPC1
SCHEMBL18932461 0.77 CYP1A2 (0.66) HPGDCYP1A2CYP2C9CYP2C19NPC1
SCHEMBL20386014 0.77 POLB (0.50) HPGDCYP1A2CYP2C9CYP2C19NPC1

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 1492/4885CYP1A2 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.