SCHEMBL14433993

SCHEMBL14433993

CCNCCCCCCNCN

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.60
CYP1A2 P05177 3/20 0.60
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GLA P06280 1/20 0.55
KDM1A O60341 5/20 0.54
TSHR P16473 3/20 0.52
CA12 O43570 2/20 0.41
F13A1 P00488 2/20 0.41
CA2 P00918 2/20 0.41
ALOX15 P16050 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
THPO P40225 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL20111914 0.85
SCHEMBL331498 0.85 CYP2C19 (0.80) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL331540 0.85 CYP2C19 (0.80) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL19620508 0.85 CYP2C19 (0.80) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL13893419 0.85 CYP2C19 (0.80) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL332342 0.85 CYP2C19 (0.80) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL7089751 0.85 CYP2C19 (0.80) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL25230203 0.83 TSHR (0.63) MEN1KMT2ATSHRALDH1A1
SCHEMBL3133413 0.83 TSHR (0.63) MEN1KMT2ATSHRALDH1A1
SCHEMBL22627533 0.83 TSHR (0.63) MEN1KMT2ATSHRALDH1A1

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-20070196859-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-08-23 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-20070196859-A1 Novel antibacterial agents ENGASE, PEPD, PGLS CYP2C19 3011/4885CYP1A2 2780/4885MEN1 4179/4885

“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.