SCHEMBL1864874

SCHEMBL1864874

Oc1c(Br)ccc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
MAPT P10636 2/20 0.33
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
AKR1B1 P15121 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL16045071 0.81 ERN1 (0.38) MAPTCA3CA6CA5ACA9
SCHEMBL4023120 0.79 MEP1A (0.37) CES2CES1MAPTCA3CA6
SCHEMBL374724 0.79 AKR1B1 (0.36) MAPTCA3CA6CA5ACA9
SCHEMBL29737879 0.79 MEP1A (0.37) CES2CES1MAPTCA3CA6
SCHEMBL28694200 0.79 ALOX15 (0.39) MAPTLMNAGAASMN1; SMN2TDP1
SCHEMBL29761144 0.79 AKR1B1 (0.36) MAPTCA3CA6CA5ACA9
SCHEMBL29761143 0.79 AKR1B1 (0.36) MAPTCA3CA6CA5ACA9
SCHEMBL78147 0.77 ERN1 (0.42) CES2CES1CA3CA6CA5A
SCHEMBL30368289 0.77 ERN1 (0.42) CES2CES1CA3CA6CA5A
SCHEMBL24204693 0.75 CA9 (0.32) MAPTCA3CA6CA5ACA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110563565-A synthetic method of 3-bromo-6-fluoro-2-methoxybenzaldehyde 南通大学 2019-12-13 CN claimed
WO-2025264645-A1 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2025-12-26 WO disclosed
EP-4665458-A1 INHIBITING ALPHA V BETA8 INTEGRIN Morphic Therapeutic, Inc. (US) 2025-12-24 EP disclosed
EP-4189036-B1 DIBENZOFURAN AND DIBENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2025-06-18 EP disclosed
WO-2025090465-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-05-01 WO disclosed
CN-114478447-B Benzo oxygen-containing ring derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-12-13 CN disclosed
US-20240294542-A1 NLRP3 INFLAMMASOME INHIBITOR AND APPLICATION THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2024-09-05 US disclosed
US-12071425-B2 Phenoxy-pyridyl-pyrimidine compounds and methods of use GENENTECH, INC. (US) 2024-08-27 US disclosed
WO-2024173572-A1 INHIBITING α vβ8 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2024-08-22 WO disclosed
EP-3849664-B1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2024-06-12 EP disclosed
EP-1930396-A1 Furochroman derivatives MERCK PATENT GmbH (DE) 2008-06-11 EP disclosed
EP-1713767-A4 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-01-16 EP disclosed
EP-1713767-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP disclosed
WO-2005077892-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO disclosed
EP-1204659-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
EP-1204654-A1 BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
EP-1149085-A1 AMINOALKYLBENZOFURANS AS SEROTONIN (5-HT(2C)) AGONISTS ELI LILLY AND COMPANY (US) 2001-10-31 EP disclosed
WO-2001009111-A1 BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed
WO-2001009122-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed
WO-2000044737-A1 AMINOALKYLBENZOFURANS AS SEROTONIN (5-HT(2C)) AGONISTS ELI LILLY AND COMPANY (US) 2000-08-03 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-20240294542-A1 NLRP3 INFLAMMASOME INHIBITOR AND APPLICATION THEREOF NLRP3, NLRP1, PYCARD CES2 4802/4885CES1 2589/4885MAPT 57/4885
US-12071425-B2 Phenoxy-pyridyl-pyrimidine compounds and methods of use XBP1, ERN1, ESR2 CES2 1062/4885CES1 224/4885MAPT 412/4885

“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.