SCHEMBL19656241

SCHEMBL19656241

CCCC(CCC)NC(=O)c1c(-c2ccnn2-c2ccc(C#N)cc2)n(C)n(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.52
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSK P43235 4/20 0.39
CYP3A4 P08684 1/20 0.37
AVPR1B P47901 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL19684407 0.90 ELANE (0.49) ELANEMEN1KMT2ACTSKCYP3A4
SCHEMBL19656245 0.89 ELANE (0.48) ELANEMEN1KMT2ACYP3A4CYP2C9
SCHEMBL19640000 0.89 ELANE (0.56) ELANEMEN1KMT2ACTSKCYP3A4
SCHEMBL19656260 0.88 ELANE (0.49) ELANEMEN1KMT2ACTSKCYP3A4
SCHEMBL19656244 0.88 ELANE (0.47) ELANEMEN1KMT2ACTSKCYP2C9
SCHEMBL19656233 0.88 ELANE (0.53) ELANEMEN1KMT2ACTSK
SCHEMBL19656274 0.88 ELANE (0.49) ELANEMEN1KMT2ACTSKCYP3A4
SCHEMBL19640024 0.86 ELANE (0.54) ELANEMEN1KMT2ACYP3A4CYP2C9
SCHEMBL19684694 0.85 ELANE (0.56) ELANEMEN1KMT2ACTSKCYP3A4
SCHEMBL19639985 0.85 ELANE (0.56) ELANEMEN1KMT2ACTSKCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340611-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2017-11-30 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-20170340611-A1 NOVEL COMPOUNDS SERPINB1, ELANE, MPO ELANE 2/4885TAS1R3 2775/4885TAS1R1 2139/4885

“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.