SCHEMBL13893418

SCHEMBL13893418

CCNCCCCCCCCCCCCNC(C)C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.55
CYP1A2 P05177 1/20 0.55
KDM1A O60341 5/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 2/20 0.48
SAT1 P21673 2/20 0.38
HRH4 Q9H3N8 4/20 0.38
HRH3 Q9Y5N1 4/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.33
EPHX1 P07099 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
SCHEMBL19749144 1.00 CYP2C19 (0.55) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL19308992 1.00 CYP2C19 (0.55) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL12319690 0.93 CYP2C19 (0.67) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL9010938 0.92 CYP2C19 (0.60) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL10045259 0.90 CYP2C19 (0.65) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL25569446 0.88 CYP2C19 (0.62) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL25566471 0.84 TSHR (0.45) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL2479475 0.84 HRH4 (0.45) HRH4HRH3ALDH1A1EPHX1
SCHEMBL841330 0.84 HRH4 (0.45) HRH4HRH3ALDH1A1EPHX1
SCHEMBL4789143 0.84 HRH4 (0.45) HRH4HRH3ALDH1A1EPHX1

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-20090111737-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2009-04-30 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-20090111737-A1 Novel antibacterial agents ENGASE, PGLS, PEPD CYP2C19 2854/4885CYP1A2 2966/4885KDM1A 2957/4885

“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.