SCHEMBL19995519

SCHEMBL19995519

O=[N+]([O-])C=Cc1cc(Br)c(F)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.58
MEN1 O00255 1/20 0.42
PSMD14 O00487 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FBP1 P09467 11/20 0.42
RXRA P19793 1/20 0.38
MITF O75030 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSP90AA1 P07900 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
ABL2 P42684 1/20 0.35
TLR4 O00206 1/20 0.35
TLR2 O60603 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL19995518 1.00 VCP (0.58) VCPMEN1PSMD14KMT2AL3MBTL1
SCHEMBL121200 0.87 VCP (0.49) VCPMEN1PSMD14KMT2AL3MBTL1
SCHEMBL145009 0.87 VCP (0.49) VCPMEN1PSMD14KMT2AL3MBTL1
SCHEMBL16831527 0.85 VCP (0.50) VCPMEN1PSMD14KMT2AL3MBTL1
SCHEMBL16831526 0.85 VCP (0.50) VCPMEN1PSMD14KMT2AL3MBTL1
SCHEMBL461165 0.79 MEN1 (0.52) VCPMEN1PSMD14KMT2AL3MBTL1
SCHEMBL461799 0.79 MEN1 (0.52) VCPMEN1PSMD14KMT2AL3MBTL1
SCHEMBL12860019 0.77 VCP (0.53) VCPMEN1PSMD14KMT2AL3MBTL1
SCHEMBL4043370 0.77 VCP (0.53) VCPMEN1PSMD14KMT2AL3MBTL1
SCHEMBL18524372 0.77 VCP (0.57) VCPMEN1PSMD14KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors BIAL—PORTELA & CA, S.A. (PT) 2021-04-13 US disclosed
US-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL-PORTELA & CA, S.A. (PT) 2019-11-07 US disclosed
EP-3515433-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2019-07-31 EP disclosed
WO-2018056854-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2018-03-29 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-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 VCP 4063/4885MEN1 2929/4885PSMD14 4120/4885
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 VCP 4081/4885MEN1 2878/4885PSMD14 3894/4885

“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.