SCHEMBL19994255

SCHEMBL19994255

O=C(Cn1cncn1)c1ccc(Oc2ccc(C(F)(F)F)cc2)nc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 4/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4D Q08499 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LIPE Q05469 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ALOX15 P16050 1/20 0.34
BCHE P06276 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
SCHEMBL19994252 0.91 LMNA (0.35) SCN9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18529636 0.91 LMNA (0.44) CYP3A4LMNAPKMSMN1; SMN2PDE4D
SCHEMBL21678324 0.90 ALDH1A1 (0.36) SCN9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21678311 0.88 LMNA (0.36) SCN9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21678316 0.88 LMNA (0.34) SCN9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21678314 0.85 PDE4D (0.37) SCN9ACYP3A4CYP2D6CYP2C9LMNA
SCHEMBL21703559 0.85 PDE4D (0.35) SCN9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21703561 0.84 LMNA (0.33) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19994248 0.77 LMNA (0.48) CYP3A4LMNAPKMSMN1; SMN2PDE4D
SCHEMBL9864864 0.74 PTPN1 (0.49) CYP1A2CYP2C9CYP2C19HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515907-A1 NOVEL TRIAZOLE DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2019-07-31 EP disclosed
US-20190211002-A1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-11 US disclosed
US-20190211002-A1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-11 US disclosed
WO-2018054832-A1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-29 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-20190211002-A1 NOVEL TRIAZOLE DERIVATIVES ERG28, CYP51A1, SBK3 SCN9A 4713/4885CYP1A2 467/4885CYP3A4 276/4885

“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.