SCHEMBL18328449

SCHEMBL18328449

O=C(COc1cccc(Br)c1)Nc1ccnc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
AHR P35869 1/20 0.52
KDR P35968 1/20 0.51
LMNA P02545 3/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
EGFR P00533 2/20 0.48
GALR3 O60755 2/20 0.48
MAPK1 P28482 2/20 0.48
HSP90AA1 P07900 1/20 0.48
KDM4E B2RXH2 1/20 0.48
STAT3 P40763 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 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
SCHEMBL16596338 0.87 L3MBTL1 (0.56) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL18328450 0.85 MEN1 (0.56) KCNH2MEN1KMT2ASMN1; SMN2KDR
SCHEMBL18328455 0.85 MEN1 (0.53) MEN1KMT2ASMN1; SMN2KDRLMNA
SCHEMBL18328507 0.85 CNR1 (0.53) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL18328448 0.85 KMT2A (0.72) MEN1KMT2AKDRLMNAGALR3
SCHEMBL18328456 0.79 MAPK1 (0.76) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL18328457 0.78 KCNH2 (0.48) KCNH2MEN1KMT2ASMN1; SMN2KDR
SCHEMBL18328490 0.76 MAPK1 (0.63) KCNH2MEN1KMT2ASMN1; SMN2AHR
SCHEMBL18328452 0.75 TSHR (0.57) MEN1KMT2ALMNAHSD17B10NPC1
SCHEMBL18328451 0.74 HSD17B10 (0.51) MEN1KMT2AKDRLMNAHSD17B10

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 KCNH2 3497/4885MEN1 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.