SCHEMBL3755931

SCHEMBL3755931

COC(=O)[CH]Cc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CNR1 P21554 3/20 0.42
FPR2 P25090 1/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CNR2 P34972 1/20 0.41
PTGS2 P35354 1/20 0.41
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CTDSP1 Q9GZU7 1/20 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
SCHEMBL95253 0.83 CA2 (0.50) ALDH1A1MEN1KMT2ACYP2C19CYP2C9
SCHEMBL95660 0.82 MAPT (0.45) ALDH1A1MEN1KMT2ACYP2C19TDP1
SCHEMBL31177346 0.82 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ACYP2C19CYP2C9
SCHEMBL28885206 0.81 KDM4E (0.45) ALDH1A1MEN1KMT2AFPR2POLB
SCHEMBL294028 0.81 MAOB (0.43) ALDH1A1CYP2C19RAB9AKDM4E
SCHEMBL28622034 0.78 CYP2C19 (0.47) ALDH1A1MEN1KMT2ACNR1CYP2C19
SCHEMBL4320076 0.75 CYP2C9 (0.50) ALDH1A1MEN1KMT2ACNR1CYP2C19
SCHEMBL20702168 0.74 ALDH1A1 (0.57) ALDH1A1MEN1KMT2APOLBTDP1
SCHEMBL7697179 0.73 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ACYP2C19CYP2C9
SCHEMBL3090267 0.73 NPC1 (0.57) ALDH1A1CYP2C19PTGS2RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 CN claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
EP-3887362-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2021-10-06 EP disclosed
WO-2020109391-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-06-04 WO disclosed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 CN disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US 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-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 ALDH1A1 315/4885MEN1 538/4885KMT2A 3483/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 ALDH1A1 310/4885MEN1 2400/4885KMT2A 3979/4885

“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.