SCHEMBL3340697

SCHEMBL3340697

COC(=O)NCCOC(c1cccc(Cl)c1)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
HTT P42858 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.44
REN P00797 8/20 0.42
CYP3A4 P08684 3/20 0.42
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
TP53 P04637 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL8082795 0.86 HTT (0.45) HPGDHTTMEN1KMT2ATSHR
SCHEMBL1567463 0.85 HTT (0.45) HPGDHTTMEN1KMT2ATSHR
SCHEMBL1568426 0.85 ADRB2 (0.47) HPGDHTTMEN1KMT2ATSHR
SCHEMBL1567460 0.85 HTT (0.45) HPGDHTTMEN1KMT2ATSHR
SCHEMBL10068808 0.84 HTT (0.43) HPGDHTTMEN1KMT2ATSHR
SCHEMBL2027362 0.83 HTT (0.43) HPGDHTTMEN1KMT2ATSHR
SCHEMBL2024820 0.81 HTT (0.44) HPGDHTTMEN1KMT2ATSHR
SCHEMBL2026754 0.81 ADRB1 (0.44) HTTMEN1KMT2ATSHRMAPK1
SCHEMBL1567512 0.81 HTT (0.44) HPGDHTTMEN1KMT2ATSHR
SCHEMBL2025568 0.81 HTT (0.44) HPGDHTTMEN1KMT2ATSHR

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
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
EP-2170815-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-04-07 EP disclosed
WO-2008156817-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 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-20100160424-A1 RENIN INHIBITORS ACE, REN, DNPEP HPGD 718/4885HTT 1504/4885MEN1 2924/4885

“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.