SCHEMBL17980997

SCHEMBL17980997

C[Si](C)(C)CCOCn1cc(Br)c2cc(Br)ccc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
DGAT1 O75907 3/20 0.38
LMNA P02545 2/20 0.35
MCL1 Q07820 1/20 0.34
EGFR P00533 1/20 0.34
IGF1R P08069 1/20 0.34
SRC P12931 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
EPHB4 P54760 1/20 0.34
TEK Q02763 1/20 0.34
TNF P01375 2/20 0.33
MAPK8 P45983 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.32
PSMB1 P20618 1/20 0.32
PSMB5 P28074 1/20 0.32
ESR1 P03372 1/20 0.32
ESRRA P11474 1/20 0.32

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
SCHEMBL17981258 0.88 NPC1 (0.38) NPC1DGAT1LMNAMCL1EGFR
SCHEMBL21649152 0.82 TNF (0.33) LMNAMCL1TNFMAPK8ESR1
SCHEMBL20401456 0.80 PSMB1 (0.38) NPC1DGAT1LMNAMCL1EGFR
SCHEMBL27037221 0.80 DGAT1 (0.38) NPC1DGAT1EGFRIGF1RSRC
SCHEMBL30698518 0.80 DGAT1 (0.38) NPC1DGAT1EGFRIGF1RSRC
SCHEMBL38657054 0.79 MCL1 (0.54) DGAT1LMNAMCL1TP53POLB
SCHEMBL17981263 0.79 KDM4E (0.41) NPC1DGAT1LMNAEGFRHSD17B10
SCHEMBL15155202 0.76 PSMB5 (0.42) NPC1DGAT1EGFRIGF1RSRC
SCHEMBL26615066 0.76 PSMB5 (0.52) NPC1DGAT1EGFRIGF1RSRC
SCHEMBL25697650 0.75 DGAT1 (0.41) NPC1DGAT1EGFRIGF1RSRC

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200031811-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARM INT AG (CH) 2020-01-30 US disclosed
US-20180002321-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE Basilea Pharmaceutica International AG (CH) 2018-01-04 US disclosed
US-20180002321-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE Basilea Pharmaceutica International AG (CH) 2018-01-04 US disclosed
EP-3256217-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE Basilea Pharmaceutica International AG (CH) 2017-12-20 EP disclosed
WO-2016128465-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2016-08-18 WO disclosed
WO-2016128465-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2016-08-18 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 (2 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-20180002321-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE CBR3, SCO2, CBR1 NPC1 1016/4885DGAT1 2429/4885LMNA 502/4885
US-20200031811-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE CBR3, SCO2, CBR1 NPC1 1018/4885DGAT1 2417/4885LMNA 500/4885

“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.