SCHEMBL16596333

SCHEMBL16596333

CCCCCCCCCCCC(=O)Nc1ncccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
POLB P06746 1/20 0.57
HTT P42858 2/20 0.56
DEGS1 O15121 1/20 0.54
RAB9A P51151 1/20 0.52
CETP P11597 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
SOAT1 P35610 3/20 0.50
NPC1 O15118 1/20 0.50
GLA P06280 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SOAT2 O75908 1/20 0.50
KMT2A Q03164 1/20 0.50
SPHK2 Q9NRA0 1/20 0.49
SPHK1 Q9NYA1 1/20 0.49
EP300 Q09472 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL22610228 0.98 LMNA (0.58) LMNAPOLBHTTDEGS1RAB9A
SCHEMBL8993787 0.91 SOAT2 (0.64) LMNAHTTSOAT1SOAT2KMT2A
SCHEMBL16596330 0.89 LMNA (0.56) LMNAPOLBHTTDEGS1RAB9A
SCHEMBL19154145 0.85 LMNA (0.63) LMNAHTTRAB9ANPC1MAPK1
SCHEMBL5450411 0.85 ALDH1A1 (0.54) LMNACYP1A2CYP2C19MAPK1KMT2A
SCHEMBL5654720 0.82 DEGS1 (0.57) LMNAPOLBHTTDEGS1CYP1A2
SCHEMBL13227316 0.82 KMT2A (0.55) LMNAPOLBDEGS1RAB9ACETP
SCHEMBL12038084 0.82 ALDH1A1 (0.55) LMNAPOLBDEGS1RAB9ANPC1
SCHEMBL1993637 0.81 DEGS1 (0.64) LMNAPOLBDEGS1RAB9ACYP1A2
SCHEMBL12411456 0.81 L3MBTL1 (0.52) LMNAPOLBDEGS1RAB9ANPC1

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 5 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
WO-2015042363-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-03-26 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-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES BLVRB, PGLS, GRHPR LMNA 4678/4885POLB 1770/4885HTT 2674/4885

“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.