SCHEMBL3755860

SCHEMBL3755860

[CH2]c1ccccc1-c1cc(F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
NFE2L2 Q16236 3/20 0.38
GPR3 P46089 1/20 0.38
PDK2 Q15119 2/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
SLC9A1 P19634 1/20 0.35
OPRK1 P41145 1/20 0.35
CES2 O00748 1/20 0.33

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
SCHEMBL1432534 0.83 GPR3 (0.42) PTPN1L3MBTL1CASP3SENP8SENP7
SCHEMBL2095101 0.80 ALDH1A1 (0.38) PTPN1L3MBTL1NFE2L2MEN1NPC1
SCHEMBL9766850 0.79 CA9 (0.52) PTPN1NFE2L2CA3CA6CA5A
Methyl Alcohol SCHEMBL13725585 0.77 PTPN1 (0.47) PTPN1L3MBTL1CASP3SENP8SENP7
SCHEMBL3756905 0.76 GPR3 (0.40) GPR3PDK2CYP1A2CYP2A6POLB
SCHEMBL400394 0.75 ALDH1A1 (0.54) PTPN1L3MBTL1CASP3SENP8SENP7
SCHEMBL30461961 0.75 PTPN1 (0.46) PTPN1L3MBTL1CASP3SENP8SENP7
SCHEMBL3755862 0.75 PTPN1 (0.46) PTPN1L3MBTL1CASP3SENP8SENP7
SCHEMBL30543346 0.75 PTPN1 (0.50) PTPN1L3MBTL1CASP3SENP8SENP7
SCHEMBL31716549 0.75 CA3 (0.52) PTPN1L3MBTL1CASP3SENP8SENP7

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-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US 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
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US 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 PTPN1 4367/4885L3MBTL1 1995/4885CASP3 1034/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 PTPN1 4537/4885L3MBTL1 1605/4885CASP3 546/4885

“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.