SCHEMBL895250

SCHEMBL895250

FC(F)(F)c1cc(Cl)nc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.64
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ACP1 P24666 1/20 0.43
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
C1R P00736 1/20 0.42
AR P10275 4/20 0.42
IGF1R P08069 1/20 0.41
ELANE P08246 1/20 0.41
PKM P14618 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL30449773 1.00 BACE1 (0.64) BACE1MAOAMAOBKDM4EACP1
SCHEMBL12401857 0.81 KDM4E (0.47) BACE1MAOAMAOBKDM4EUSP2
SCHEMBL10914959 0.80 AR (0.44) BACE1KDM4EHTTARCYP2C9
SCHEMBL3300391 0.79 BACE1 (0.66) BACE1KDM4EACP1HTTC1R
SCHEMBL2334850 0.79 BACE1 (0.53) BACE1MAOAMAOBKDM4EACP1
SCHEMBL17433836 0.79 KDM4E (0.49) BACE1MAOAMAOBKDM4EUSP2
SCHEMBL2335294 0.78 BACE1 (0.64) BACE1ACP1C1RARELANE
SCHEMBL4116547 0.78 BACE1 (1.00) BACE1MAOAKDM4EACP1HTT
SCHEMBL12803449 0.78 BACE1 (0.46) BACE1MAOAMAOBACP1C1R
SCHEMBL19117639 0.78 BACE1 (0.64) BACE1KDM4EACP1USP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118126090-A Iridium complex photosensitizer and preparation method and application thereof 南京工业大学 2024-06-04 CN claimed
CN-118146151-A 4-Trifluoromethyl substituted quinoline and quinazoline compound and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2024-06-07 CN disclosed
CN-118126090-A Iridium complex photosensitizer and preparation method and application thereof 南京工业大学 2024-06-04 CN disclosed
WO-2024085525-A1 IRIDIUM COMPLEX, PHOTOSENSITIZER, AND COMPOSITION FOR PHOTODYNAMIC THERAPY 울산과학기술원 2024-04-25 WO disclosed
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity STEMLINE THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
CN-110612285-B Amide derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2023-04-04 CN disclosed
EP-3567035-B1 N-SUBSTITUTED 2,5-DIOXO-AZOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CANBAS CO LTD (JP) 2022-06-01 EP disclosed
US-11248007-B2 Inhibitors of MALT1 and uses thereof CORNELL UNIVERSITY (US) 2022-02-15 US disclosed
US-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers RAQUALIA PHARMA INC. (JP) 2021-10-26 US disclosed
EP-3487839-B1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RAQUALIA PHARMA INC (JP) 2020-12-23 EP disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC 2003-12-25 US disclosed
WO-2003066604-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2003-08-14 WO disclosed
EP-0317188-B1 Heteroaromatic enamide derivatives and their use as pesticides ROUSSEL UCLAF (FR) 1995-09-27 EP disclosed
US-5114940-A Insecticides or anthelmintics from fused ring heterocycles containing amides or thioamides ROUSSEL-UCLAF (FR) 1992-05-19 US disclosed
EP-0317188-A2 Heteroaromatic enamide derivatives and their use as pesticides ROUSSEL UCLAF (FR) 1989-05-24 EP disclosed
EP-0152319-B1 PROCESS FOR OBTAINING COMPOUNDS WITH AN ALKOXYACYLIDENE GROUP RHONE-POULENC CHIMIE (FR) 1987-07-22 EP disclosed
EP-0168305-B1 PROCESS FOR THE STABILISATION OF ALKYL ALKOXYALKYLIDENE MALONATES RHONE-POULENC CHIMIE (FR) 1987-04-22 EP disclosed
EP-0168305-A1 Process for the stabilisation of alkyl alkoxyalkylidene malonates RHONE-POULENC CHIMIE (FR) 1986-01-15 EP disclosed
EP-0152319-A1 Process for obtaining compounds with an alkoxyacylidene group RHONE-POULENC CHIMIE (FR) 1985-08-21 EP 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-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers SCN8A, SCN7A, SCN1A BACE1 1350/4885MAOA 2088/4885MAOB 1592/4885
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HRH3, HRH2, HRH4 BACE1 3643/4885MAOA 638/4885MAOB 646/4885
US-11248007-B2 Inhibitors of MALT1 and uses thereof MALT1, BCL6, BCL3 BACE1 699/4885MAOA 4302/4885MAOB 3524/4885
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity MAVS, DDX18, ZC3HAV1 BACE1 4359/4885MAOA 2906/4885MAOB 2577/4885

“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.