SCHEMBL18328512

SCHEMBL18328512

Cc1cc(NC(=O)CCCCCOc2cccc(Br)c2)ncn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.52
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ERBB3 P21860 2/20 0.51
ALDH1A1 P00352 3/20 0.49
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
SORT1 Q99523 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC3 O15379 1/20 0.44
KDR P35968 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL16596341 0.87 EGFR (0.50) EGFRLMNAGAAL3MBTL1ERBB3
SCHEMBL18328454 0.85 TSHR (0.55) EGFRLMNAERBB3ALDH1A1RAB9A
SCHEMBL16596278 0.83 CNR1 (0.48) EGFRLMNAGAAL3MBTL1ALDH1A1
SCHEMBL18328516 0.83 LMNA (0.47) LMNAGAAL3MBTL1ALDH1A1CNR1
SCHEMBL18328515 0.83 L3MBTL1 (0.56) LMNAGAAL3MBTL1ALDH1A1CNR1
SCHEMBL18328514 0.83 L3MBTL1 (0.56) LMNAGAAL3MBTL1ALDH1A1CNR1
SCHEMBL18328481 0.83 L3MBTL1 (0.56) LMNAGAAL3MBTL1ALDH1A1CNR1
SCHEMBL18328513 0.81 L3MBTL1 (0.57) LMNAGAAL3MBTL1ALDH1A1CNR1
SCHEMBL18328517 0.79 LMNA (0.69) LMNAGAAL3MBTL1ALDH1A1CNR1
SCHEMBL16596175 0.78 ALDH1A1 (0.47) EGFRLMNAGAAL3MBTL1ERBB3

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 EGFR 1009/4885LMNA 4678/4885GAA 2836/4885

“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.