SCHEMBL18328489

SCHEMBL18328489

CCCCCCCCCCCC(=O)Nc1ccncc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
POLB P06746 1/20 0.60
HPGD P15428 1/20 0.52
CETP P11597 1/20 0.51
SOAT1 P35610 2/20 0.50
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
DEGS1 O15121 1/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
EP300 Q09472 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.48
P2RX7 Q99572 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48

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
SCHEMBL19151050 0.82 ALDH1A1 (0.46) LMNAHPGDL3MBTL1RAB9AMAPT
SCHEMBL16596180 0.81 LMNA (0.55) LMNAPOLBHPGDCETPSOAT1
SCHEMBL26624031 0.79 HDAC3 (0.74) HPGDCETPSOAT1HDAC3HDAC1
SCHEMBL5968938 0.79 HDAC3 (0.74) HPGDCETPSOAT1HDAC3HDAC1
SCHEMBL10581544 0.77 HPGD (0.76) LMNAPOLBHPGDSOAT1HDAC3
SCHEMBL28347915 0.77 HPGD (0.76) LMNAPOLBHPGDSOAT1HDAC3
SCHEMBL11446154 0.77 HDAC3 (0.77) HPGDCETPSOAT1HDAC3HDAC1
SCHEMBL8671160 0.77 HPGD (0.76) LMNAPOLBHPGDSOAT1HDAC3
SCHEMBL16596254 0.77 HPGD (0.76) LMNAPOLBHPGDSOAT1HDAC3
SCHEMBL16596336 0.75 LMNA (1.00) LMNAPOLBHPGDSOAT1HDAC3

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 2 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-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 LMNA 4678/4885POLB 1770/4885HPGD 481/4885

“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.