SCHEMBL18328441

SCHEMBL18328441

CCCCCCCCCCCC(=O)Nc1c(F)c(F)nc(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HSP90AA1 P07900 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 2/20 0.44
FAAH O00519 2/20 0.44
DEGS1 O15121 1/20 0.44
POLB P06746 1/20 0.44
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
RAB9A P51151 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDE5A O76074 1/20 0.43
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CETP P11597 1/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL26623127 0.98 KMT2A (0.49) KMT2AMEN1HSP90AA1GAALMNA
SCHEMBL19308462 0.86 KDM4E (0.49) KMT2AMEN1GAARAB9ANPC1
SCHEMBL21458992 0.81 MEN1 (0.49) KMT2AMEN1HSP90AA1GAAFAAH
SCHEMBL19407452 0.81 MEN1 (0.49) KMT2AMEN1HSP90AA1GAAFAAH
SCHEMBL10667145 0.80 HSP90AA1 (0.61) KMT2AMEN1HSP90AA1LMNAFAAH
SCHEMBL10665672 0.80 HSP90AA1 (0.61) KMT2AMEN1HSP90AA1LMNAFAAH
SCHEMBL19386087 0.79 MEN1 (0.50) KMT2AMEN1HSP90AA1GAAFAAH
SCHEMBL15480437 0.77 MEN1 (0.67) KMT2AMEN1GAAMAPK1
SCHEMBL13227316 0.75 KMT2A (0.55) KMT2AMEN1HSP90AA1LMNAFAAH
SCHEMBL21459121 0.74 MEN1 (0.51) KMT2AMEN1GAAPOLBSMN1; SMN2

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
US-9751851-B2 Molecules and compositions that inhibit gram negative bacteria and their uses THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-05 US disclosed
US-9751851-B2 Molecules and compositions that inhibit gram negative bacteria and their uses THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-05 US disclosed
US-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-12-22 US disclosed
US-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-12-22 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-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES BLVRB, PGLS, GRHPR KMT2A 4247/4885MEN1 4766/4885HSP90AA1 2711/4885

“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.