SCHEMBL16997486

SCHEMBL16997486

NC(=O)c1cc(Br)ccc1OCCBr

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.48
DGAT1 O75907 1/20 0.45
KDM4E B2RXH2 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PARP1 P09874 1/20 0.39
PARP15 Q460N3 1/20 0.39
GLA P06280 1/20 0.39
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL16997481 0.86 HPGD (0.52) PTGDR2DGAT1KDM4ELMNAHTT
SCHEMBL989347 0.84 PTGDR2 (0.68) PTGDR2KDM4ELMNAHTTMEN1
SCHEMBL27685280 0.82 PTGDR2 (0.49) PTGDR2DGAT1KDM4EPARP1PARP15
SCHEMBL3364550 0.82 PTGDR2 (0.53) PTGDR2DGAT1LMNAMAPTKMT2A
SCHEMBL27684806 0.82 PTGDR2 (0.50) PTGDR2DGAT1KDM4ELMNAHTT
SCHEMBL8336977 0.82 HTT (0.65) PTGDR2DGAT1KDM4ELMNAHTT
SCHEMBL8334827 0.81 PTGDR2 (0.46) PTGDR2KDM4ELMNAHTTMEN1
SCHEMBL8334713 0.81 PTGDR2 (0.46) PTGDR2KDM4ELMNAHTTMEN1
SCHEMBL17018092 0.80 PTGDR2 (0.48) PTGDR2KDM4EHTTCYP3A4MAPT
SCHEMBL8337397 0.79 PDE4A (0.54) PTGDR2KDM4ELMNAMEN1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180064726-A1 Deuterium-Substituted Oxazepin Compounds TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2018-03-08 US disclosed
US-20160332977-A1 PROCESSES FOR PREPARING FUSED HETEROCYCLIC ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-20160332976-A1 PROCESSES FOR PREPARING FUSED HETEROCYCLIC ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-20160332977-A1 PROCESSES FOR PREPARING FUSED HETEROCYCLIC ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-20160332976-A1 PROCESSES FOR PREPARING FUSED HETEROCYCLIC ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
WO-2015123519-A2 PROCESSES FOR PREPARING FUSED HETEROCYCLIC ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2015-08-20 WO disclosed
US-20150225384-A1 PROCESSES FOR PREPARING FUSED HETEROCYCLIC ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-08-13 US disclosed
US-20150225384-A1 PROCESSES FOR PREPARING FUSED HETEROCYCLIC ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-08-13 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 (4 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-20160332976-A1 PROCESSES FOR PREPARING FUSED HETEROCYCLIC ION CHANNEL MODULATORS KCNN2, KCNJ2, KCNN1 PTGDR2 1450/4885DGAT1 2573/4885KDM4E 1924/4885
US-20180064726-A1 Deuterium-Substituted Oxazepin Compounds HCN1, KCNN1, CACNA1I PTGDR2 155/4885DGAT1 1156/4885KDM4E 2863/4885
US-20160332977-A1 PROCESSES FOR PREPARING FUSED HETEROCYCLIC ION CHANNEL MODULATORS KCNN2, KCNJ2, KCNN1 PTGDR2 1450/4885DGAT1 2573/4885KDM4E 1924/4885
US-20150225384-A1 PROCESSES FOR PREPARING FUSED HETEROCYCLIC ION CHANNEL MODULATORS KCNN2, KCNJ2, KCNN1 PTGDR2 1450/4885DGAT1 2573/4885KDM4E 1924/4885

“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.