SCHEMBL16596290

SCHEMBL16596290

O=C(CCCOc1cccc(Br)c1)Nc1ccncc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
TSHR P16473 2/20 0.72
LMNA P02545 5/20 0.63
GAA P10253 1/20 0.63
RAB9A P51151 3/20 0.55
GALR3 O60755 2/20 0.55
HSP90AA1 P07900 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53

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
SCHEMBL16596199 0.95 L3MBTL1 (0.65) MAPK1L3MBTL1TSHRLMNAGAA
SCHEMBL18328508 0.86 LMNA (0.61) MAPK1L3MBTL1TSHRLMNAGAA
SCHEMBL16596338 0.86 L3MBTL1 (0.56) MAPK1L3MBTL1TSHRLMNAGAA
SCHEMBL18328448 0.86 KMT2A (0.72) MAPK1TSHRLMNAGAAGALR3
SCHEMBL16596237 0.84 LMNA (0.59) MAPK1L3MBTL1TSHRLMNAGAA
SCHEMBL18332836 0.83 L3MBTL1 (0.53) MAPK1L3MBTL1TSHRLMNAGAA
SCHEMBL18328513 0.82 L3MBTL1 (0.57) MAPK1L3MBTL1TSHRLMNAGAA
SCHEMBL18328481 0.82 L3MBTL1 (0.56) MAPK1L3MBTL1TSHRLMNAGAA
SCHEMBL18328507 0.82 CNR1 (0.53) MAPK1L3MBTL1TSHRLMNAGAA
SCHEMBL18328515 0.82 L3MBTL1 (0.56) MAPK1L3MBTL1TSHRLMNAGAA

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 MAPK1 1169/4885L3MBTL1 876/4885TSHR 1090/4885

“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.