SCHEMBL2285894

SCHEMBL2285894

O=[N+]([O-])C=Cc1cc(F)cc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 14/20 0.67
VCP P55072 3/20 0.53
EGFR P00533 2/20 0.48
ABL1 P00519 1/20 0.48
ABL2 P42684 1/20 0.48
MITF O75030 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2285892 1.00 FBP1 (0.67) FBP1VCPEGFRABL1ABL2
SCHEMBL3241242 0.87 FBP1 (0.57) FBP1VCPEGFRABL1ABL2
SCHEMBL3241249 0.87 FBP1 (0.57) FBP1VCPEGFRABL1ABL2
SCHEMBL23684551 0.82 FBP1 (0.60) FBP1VCPEGFRALDH1A1MAPT
SCHEMBL1722327 0.81 FBP1 (0.57) FBP1VCPEGFRABL1ABL2
SCHEMBL29007465 0.81 FBP1 (0.57) FBP1VCPEGFRABL1ABL2
SCHEMBL1722329 0.81 FBP1 (0.57) FBP1VCPEGFRABL1ABL2
SCHEMBL527534 0.80 FBP1 (1.00) FBP1VCP
SCHEMBL527535 0.80 FBP1 (1.00) FBP1VCP
SCHEMBL102630 0.78 FBP1 (1.00) FBP1VCPEGFRABL1ABL2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138795-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL PORTELA & CA SA (PT) 2023-05-04 US disclosed
US-11434242-B2 Dopamine-b-hydroxylase inhibitors BIAL—PORTELA & CA, S.A. (PT) 2022-09-06 US disclosed
CN-109715633-B Dopamine-beta-hydroxylase inhibitors 巴尔-波特拉及康邦亚股份有限公司 2022-03-04 CN disclosed
US-20220017523-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-ß-HYDROXYLASE INHIBITORS BIAL - PORTELA & CA, S.A. (PT) 2022-01-20 US disclosed
US-11034695-B2 Dopamine-β-hydroxylase inhibitors BIAL—Portela & Cᵃ, S.A. (PT) 2021-06-15 US disclosed
US-20210171528-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & CA, S.A. (PT) 2021-06-10 US disclosed
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors BIAL—PORTELA & CA, S.A. (PT) 2021-04-13 US disclosed
EP-3720856-A1 DOPAMINE-& X392;-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2020-10-14 EP disclosed
CN-111479812-A dopamine-B-hydroxylase inhibitors 巴尔-波特拉及康邦亚股份有限公司 2020-07-31 CN disclosed
US-20200181148-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL-PORTELA & CA, S.A. (PT) 2020-06-11 US disclosed
EP-2091928-A2 3-(2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2009-08-26 EP disclosed
US-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS ELI LILLY AND COMPANY 2007-09-13 US disclosed
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
WO-2006034093-A2 3- (2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELLI LILLY AND COMPANY (US) 2006-03-30 WO disclosed
US-20060040936-A1 Substituted N-arylsulfonylheterocyclic amines as gamma-secretase inhibitors SCHERING CORPORATION 2006-02-23 US disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 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 (11 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-20220017523-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-ß-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 FBP1 2246/4885VCP 3927/4885EGFR 2116/4885
US-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP FBP1 752/4885VCP 2501/4885EGFR 110/4885
US-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors BACE1, BACE2, APP FBP1 2487/4885VCP 1344/4885EGFR 1332/4885
US-11434242-B2 Dopamine-b-hydroxylase inhibitors DBH, MAOB, COMT FBP1 2193/4885VCP 3760/4885EGFR 2453/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 FBP1 388/4885VCP 1784/4885EGFR 1101/4885
US-20230138795-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, COMT FBP1 2316/4885VCP 3606/4885EGFR 2532/4885
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 FBP1 2345/4885VCP 4081/4885EGFR 2051/4885
US-20200181148-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, SLC6A3 FBP1 2077/4885VCP 3848/4885EGFR 2610/4885
US-20060040936-A1 Substituted N-arylsulfonylheterocyclic amines as gamma-secretase inhibitors BACE1, BACE2, APP FBP1 4527/4885VCP 3343/4885EGFR 204/4885
US-11034695-B2 Dopamine-β-hydroxylase inhibitors DBH, SLC6A3, COMT FBP1 2447/4885VCP 3734/4885EGFR 2481/4885
US-20210171528-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, MAOB, COMT FBP1 2193/4885VCP 3760/4885EGFR 2453/4885

“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.