SCHEMBL14745993

SCHEMBL14745993

CC(C)(C)[Si](C)(C)OCCc1cc2cc(Br)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.39
TDO2 P48775 1/20 0.36
CYP19A1 P11511 1/20 0.36
FLT3 P36888 1/20 0.36
DUT P33316 2/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 1/20 0.34
FFAR1 O14842 1/20 0.33
NOS1 P29475 1/20 0.33
METAP2 P50579 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL75303 0.83 LOXL2 (0.45) LOXL2HRH3MTNR1AMTNR1B
SCHEMBL6595669 0.80 CYP19A1 (0.41) CYP19A1NOS1
SCHEMBL9538765 0.78 DUT (0.39) DUTLOXL2HRH3MTNR1AMTNR1B
SCHEMBL5171557 0.77 DUT (0.34) DUTMTNR1AMTNR1B
SCHEMBL30019343 0.77 NR3C1 (0.42) FLT3DUTCNR2
SCHEMBL9539675 0.77 DUT (0.40) DUTLOXL2HRH3MTNR1AMTNR1B
SCHEMBL14745382 0.77 NOS1 (0.34) IDO1DUTNOS1METAP2CSNK2A1
SCHEMBL9093167 0.76 DUT (0.34) DUTMTNR1AMTNR1B
SCHEMBL16839964 0.76 DUT (0.34) DUT
SCHEMBL28064110 0.75 DUT (0.33) IDO1DUT

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
CN-115504980-A Pyrimido nitrogen-containing six-membered aromatic heterocyclic compound and application thereof 石药集团中奇制药技术(石家庄)有限公司 2022-12-23 CN disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP IDO1 4322/4885TDO2 2817/4885CYP19A1 4758/4885

“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.