SCHEMBL16596336

SCHEMBL16596336

CCCCCCCCCCCC(=O)Nc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 1.00
POLB P06746 1/20 1.00
HDAC3 O15379 2/20 0.76
HDAC4 P56524 2/20 0.76
HDAC1 Q13547 2/20 0.76
HDAC7 Q8WUI4 2/20 0.76
HDAC2 Q92769 2/20 0.76
HDAC10 Q969S8 2/20 0.76
HDAC11 Q96DB2 2/20 0.76
HDAC8 Q9BY41 2/20 0.76
HDAC6 Q9UBN7 2/20 0.76
HDAC9 Q9UKV0 2/20 0.76
HDAC5 Q9UQL6 2/20 0.76
FAAH O00519 1/20 0.74
TRPV1 Q8NER1 5/20 0.66
ABL1 P00519 2/20 0.60
BCR P11274 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 1/20 0.58
CYP2C9 P11712 1/20 0.58

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
SCHEMBL28315011 1.00 LMNA (1.00) LMNAPOLBHDAC3HDAC4HDAC1
SCHEMBL823570 1.00 LMNA (1.00) LMNAPOLBHDAC3HDAC4HDAC1
SCHEMBL14415898 1.00 LMNA (1.00) LMNAPOLBHDAC3HDAC4HDAC1
SCHEMBL30444393 1.00 LMNA (1.00) LMNAPOLBHDAC3HDAC4HDAC1
SCHEMBL27813733 0.98 LMNA (0.97) LMNAPOLBHDAC3HDAC4HDAC1
SCHEMBL10788231 0.94 LMNA (0.89) LMNAPOLBHDAC3HDAC4HDAC1
SCHEMBL15480449 0.92 HDAC3 (0.88) LMNAPOLBHDAC3HDAC4HDAC1
SCHEMBL18255374 0.92 FAAH (0.88) LMNAPOLBHDAC3HDAC4HDAC1
SCHEMBL18328432 0.90 LMNA (0.82) LMNAPOLBHDAC3HDAC4HDAC1
SCHEMBL13477810 0.90 LMNA (0.81) LMNAPOLBHDAC3HDAC4HDAC1

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 1770/4885HDAC3 3253/4885

“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.