SCHEMBL18328451

SCHEMBL18328451

O=C(COc1cccc(Br)c1)Nc1ccncn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 4/20 0.48
TSHR P16473 2/20 0.47
KDR P35968 1/20 0.47
GALR3 O60755 2/20 0.46
MAPT P10636 2/20 0.46
HSP90AA1 P07900 1/20 0.46
STAT3 P40763 3/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
NOTUM Q6P988 3/20 0.46
NOD2 Q9HC29 1/20 0.45

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
SCHEMBL16596278 0.85 CNR1 (0.48) KMT2ALMNATSHRMAPTMAPK1
SCHEMBL6683882 0.84 LMNA (0.67) LMNAGALR3STAT3NOTUM
SCHEMBL18328448 0.83 KMT2A (0.72) MEN1KMT2ALMNATSHRKDR
SCHEMBL18328454 0.81 TSHR (0.55) HSD17B10LMNATSHRMAPTALOX15
SCHEMBL18328452 0.81 TSHR (0.57) HSD17B10MEN1KMT2ALMNATSHR
SCHEMBL18328459 0.75 HPGD (0.55) HSD17B10MEN1KMT2ALMNAKDR
SCHEMBL18328455 0.74 MEN1 (0.53) HSD17B10MEN1KMT2ALMNATSHR
SCHEMBL18328449 0.74 KCNH2 (0.56) HSD17B10MEN1KMT2ALMNATSHR
SCHEMBL18328450 0.74 MEN1 (0.56) HSD17B10MEN1KMT2ALMNATSHR
SCHEMBL16180109 0.74 HSD17B10 (0.70) HSD17B10MEN1KMT2ALMNAMAPT

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 HSD17B10 2151/4885MEN1 4766/4885KMT2A 4247/4885

“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.