SCHEMBL17427481

SCHEMBL17427481

CCCn1nnnc1NC(=O)c1cn(C)c(=O)n(-c2cccc(F)c2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 2/20 0.39
GAA P10253 1/20 0.38
AXL P30530 2/20 0.38
MERTK Q12866 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MET P08581 4/20 0.37

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
SCHEMBL17427480 0.94 NPC1 (0.46) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL16022022 0.81 AXL (0.40) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL16034176 0.77 KDM4E (0.68) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL16022040 0.73 NOTUM (0.56) ALDH1A1LMNAKDM4ETDP1SMN1; SMN2
SCHEMBL17427415 0.72 SMN1; SMN2 (0.47) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL17427479 0.72 POLB (0.47) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL17427392 0.72 POLB (0.43) ALDH1A1LMNAKDM4ESMN1; SMN2NPC1
SCHEMBL16022039 0.72 BAZ2B (0.47) HPGDALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL17427388 0.69 LMNA (0.39) CYP1A2CYP2C19ALDH1A1LMNAKDM4E
SCHEMBL16022056 0.69 LMNA (0.39) HPGDCYP1A2CYP2C19ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160009693-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2016-01-14 US disclosed
US-20160009693-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2016-01-14 US 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-20160009693-A1 HERBICIDAL COMPOUNDS DDT, HAX1, CYP4X1 HPGD 1834/4885CYP1A2 20/4885CYP2C9 126/4885

“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.