SCHEMBL19995540

SCHEMBL19995540

O=[N+]([O-])CC(O)c1c(F)ccc(Br)c1F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
VCP P55072 1/20 0.33
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
CNR1 P21554 3/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
CPA1 P15085 3/20 0.30

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
SCHEMBL22766426 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTCNR1CPA1
SCHEMBL19995541 0.75 VCP (0.33) VCP
SCHEMBL8472523 0.74 ALDH1A1 (0.44) ALDH1A1VCPKDM4EMAPTCPA1
SCHEMBL17048813 0.72 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTCNR1MEN1
SCHEMBL24369781 0.69 CFD (0.33) KMT2A
SCHEMBL10324344 0.69 MEN1 (0.33) MEN1KMT2A
SCHEMBL826770 0.68 CES2 (0.45) ALDH1A1KDM4EMAPTCNR1MEN1
SCHEMBL17465534 0.68 CES2 (0.45) ALDH1A1KDM4EMAPTCNR1MEN1
SCHEMBL6128208 0.67 CNR1 (0.47) ALDH1A1CNR1CPA1
SCHEMBL23690690 0.67 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTCNR1MEN1

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-11034695-B2 Dopamine-β-hydroxylase inhibitors BIAL—Portela & Cᵃ, S.A. (PT) 2021-06-15 US disclosed
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors BIAL—PORTELA & CA, S.A. (PT) 2021-04-13 US disclosed
US-20200181148-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL-PORTELA & CA, S.A. (PT) 2020-06-11 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-3515917-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2019-07-31 EP 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
WO-2018056855-A1 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 (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-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 ALDH1A1 138/4885VCP 4063/4885KDM4E 3226/4885
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 ALDH1A1 114/4885VCP 4081/4885KDM4E 3244/4885
US-20200181148-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, SLC6A3 ALDH1A1 70/4885VCP 3848/4885KDM4E 1685/4885
US-11034695-B2 Dopamine-β-hydroxylase inhibitors DBH, SLC6A3, COMT ALDH1A1 51/4885VCP 3734/4885KDM4E 1771/4885

“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.